 Entering Gaussian System, Link 0=g16
 Input=24_bromohexahelicene_STD_M11-augccpVDZr.in
 Output=24_bromohexahelicene_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/24_bromohexahelicene_STD/Gau-89264.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/24_bromohexahelicene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     89276.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                15-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=24_bromohexahelicene_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 15 17:41:58 2021, MaxMem= 16106127360 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "24_bromohexahelicene_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  H                                                -0.652976000000      0.269100000000      2.131879000000
  C                                                 0.077118000000     -0.515898000000      2.016272000000
  C                                                 1.147355000000     -0.563978000000      2.876118000000
  H                                                 1.246861000000      0.187890000000      3.648057000000
  C                                                 2.106939000000     -1.581823000000      2.761904000000
  H                                                 2.960929000000     -1.600767000000      3.426187000000
  C                                                 1.931710000000     -2.571919000000      1.827980000000
  H                                                 2.635140000000     -3.392515000000      1.758710000000
  C                                                 0.821522000000     -2.563238000000      0.958527000000
  C                                                 0.572868000000     -3.662981000000      0.087518000000
  C                                                -0.095253000000     -1.476611000000      0.997501000000
  C                                                -1.192690000000     -1.441893000000      0.051784000000
  C                                                -1.506727000000     -2.642536000000     -0.624596000000
  C                                                -0.579615000000     -3.726610000000     -0.622566000000
  C                                                -2.035643000000     -0.291576000000     -0.177518000000
  C                                                -3.356973000000     -0.534957000000     -0.639268000000
  C                                                -3.692510000000     -1.798848000000     -1.190783000000
  C                                                -2.761886000000     -2.786096000000     -1.271742000000
  C                                                -1.648813000000      1.086948000000      0.014540000000
  C                                                -2.666637000000      2.048502000000      0.208501000000
  C                                                -4.021272000000      1.709542000000     -0.047099000000
  C                                                -4.337685000000      0.487361000000     -0.549941000000
  C                                                -0.287114000000      1.573400000000     -0.077792000000
  C                                                -2.332234000000      3.372974000000      0.618459000000
  C                                                -1.040913000000      3.763875000000      0.750029000000
  C                                                 0.014713000000      2.893138000000      0.356628000000
  C                                                 1.350986000000      3.343894000000      0.332494000000
  C                                                 2.364583000000      2.558938000000     -0.156390000000
  C                                                 2.037889000000      1.298263000000     -0.674090000000
  C                                                 0.755945000000      0.815557000000     -0.650086000000
  H                                                 1.288903000000     -4.474696000000      0.057484000000
  H                                                -0.817831000000     -4.602750000000     -1.212841000000
  H                                                -4.691768000000     -1.942773000000     -1.582177000000
  H                                                -2.987639000000     -3.723712000000     -1.763936000000
  H                                                -4.781726000000      2.467364000000      0.093003000000
  H                                                -5.350606000000      0.258294000000     -0.856644000000
  H                                                -3.141496000000      4.061419000000      0.827867000000
  H                                                -0.794276000000      4.761695000000      1.090549000000
  H                                                 1.568632000000      4.342013000000      0.692153000000
  H                                                 3.386563000000      2.908506000000     -0.172645000000
  Br                                                3.423691000000      0.224870000000     -1.431958000000
  H                                                 0.548148000000     -0.150081000000     -1.077456000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     42 NQM=       42 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=           1          12          12           1          12           1          12           1          12          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           0           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42
 IAtWgt=          79           1
 AtmWgt=  78.9183361   1.0078250
 NucSpn=           3           1
 AtZEff=  24.5000000   1.0000000
 NQMom=   31.3000000   0.0000000
 NMagM=    2.1063990   2.7928460
 AtZNuc=  35.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 15 17:41:59 2021, MaxMem= 16106127360 cpu:               1.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534957   -0.639268
     17          6           0       -3.692510   -1.798848   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709542   -0.047099
     22          6           0       -4.337685    0.487361   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332234    3.372974    0.618459
     25          6           0       -1.040913    3.763875    0.750029
     26          6           0        0.014713    2.893138    0.356628
     27          6           0        1.350986    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288903   -4.474696    0.057484
     32          1           0       -0.817831   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942773   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467364    0.093003
     36          1           0       -5.350606    0.258294   -0.856644
     37          1           0       -3.141496    4.061419    0.827867
     38          1           0       -0.794276    4.761695    1.090549
     39          1           0        1.568632    4.342013    0.692153
     40          1           0        3.386563    2.908506   -0.172645
     41         35           0        3.423691    0.224870   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  C    1.078250   0.000000
     3  C    2.118750   1.373701   0.000000
     4  H    2.432030   2.127519   1.082172   0.000000
     5  C    3.382304   2.410879   1.403515   2.157982   0.000000
     6  H    4.269888   3.388387   2.160222   2.487277   1.082095
     7  C    3.852836   2.775282   2.397005   3.376129   1.372301
     8  H    4.935422   3.858075   3.385665   4.279749   2.136352
     9  C    3.401917   2.421686   2.789330   3.870813   2.422321
    10  C    4.598192   3.724244   4.208342   5.287808   3.719803
    11  C    2.155313   1.410878   2.430262   3.405478   2.823798
    12  C    2.746923   2.515769   3.771393   4.641205   4.272222
    13  C    4.099350   3.742371   4.859995   5.818000   5.064788
    14  C    4.853663   4.207545   5.022495   6.074335   4.824139
    15  C    2.749444   3.053980   4.419318   5.063570   5.240794
    16  C    3.954411   4.341110   5.713821   6.332373   6.520601
    17  C    4.955326   5.112852   6.441186   7.194365   7.021712
    18  C    5.036503   4.901508   6.117574   7.008500   6.436306
    19  C    2.478647   3.091098   4.328134   4.732407   5.364329
    20  C    3.304616   4.168018   5.337393   5.532440   6.518140
    21  C    4.262421   5.099694   6.358364   6.612324   7.501903
    22  C    4.562552   5.204081   6.552012   6.992855   7.535451
    23  C    2.591853   2.980425   3.918121   4.260830   4.873479
    24  C    3.839841   4.783533   5.718755   5.668611   6.989322
    25  C    3.778023   4.601067   5.295194   5.140053   6.521741
    26  C    3.237731   3.792076   4.425196   4.435094   5.494364
    27  C    4.087543   4.399528   4.667221   4.578664   5.544023
    28  C    4.425516   4.405403   4.519995   4.620064   5.072349
    29  C    4.021616   3.791286   4.106698   4.532064   4.483940
    30  C    3.165913   3.056639   3.806630   4.371384   4.383411
    31  H    5.529702   4.580104   4.822701   5.885040   4.043734
    32  H    5.911789   5.284928   6.073979   7.130324   5.786093
    33  H    5.915948   6.142237   7.474813   8.195266   8.076122
    34  H    6.047361   5.828617   6.972245   7.907040   7.143223
    35  H    5.102544   6.017240   7.217255   7.360589   8.424527
    36  H    5.567685   6.189766   7.538776   7.988984   8.490871
    37  H    4.719625   5.720456   6.632034   6.497336   7.945612
    38  H    4.613864   5.428561   5.943146   5.623769   7.172914
    39  H    4.857672   5.251400   5.386643   5.108585   6.298053
    40  H    5.347445   5.241214   5.134896   5.155370   5.514714
    41  Br   5.414989   4.861952   4.935940   5.526890   4.752521
    42  H    3.452281   3.150689   4.020088   4.788830   4.384108
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.134641   0.000000
     8  H    2.469206   1.083047   0.000000
     9  C    3.404814   1.410156   2.148768   0.000000
    10  C    4.593721   2.462940   2.668145   1.424753   0.000000
    11  C    3.905660   2.449076   3.421282   1.422235   2.460624
    12  C    5.353913   3.767454   4.622857   2.477226   2.837552
    13  C    6.119974   4.224093   4.837115   2.816613   2.423454
    14  C    5.783343   3.693946   4.014567   2.411737   1.355170
    15  C    6.298127   4.996186   5.931359   3.822884   4.270942
    16  C    7.588133   6.181156   7.058424   4.911893   5.075077
    17  C    8.100858   6.429807   7.160896   5.057698   4.827266
    18  C    7.498410   5.628853   6.219266   4.226651   3.706359
    19  C    6.333472   5.431024   6.438942   4.507496   5.244332
    20  C    7.439097   6.716829   7.753493   5.830775   6.567349
    21  C    8.471894   7.568674   8.579030   6.536099   7.070237
    22  C    8.569693   7.370144   8.306840   6.180538   6.461054
    23  C    5.736113   5.073344   6.047530   4.406223   5.309104
    24  C    7.787105   7.415249   8.470349   6.730560   7.630608
    25  C    7.208047   7.081013   8.108312   6.598825   7.628984
    26  C    6.188503   5.975500   6.952834   5.548447   6.585336
    27  C    6.050828   6.129483   7.004452   5.963762   7.054203
    28  C    5.522104   5.518224   6.257843   5.464500   6.479353
    29  C    5.105747   4.609765   5.317765   4.365338   5.228793
    30  C    5.226526   4.358696   5.200148   3.742752   4.542563
    31  H    4.733212   2.677390   2.424384   2.164254   1.082815
    32  H    6.694140   4.575024   4.713575   3.400283   2.123239
    33  H    9.152292   7.476326   8.182106   6.102173   5.784755
    34  H    8.174945   6.199071   6.643370   4.823714   4.013574
    35  H    9.359942   8.571741   9.598055   7.579741   8.139585
    36  H    9.533119   8.261322   9.161911   7.025030   7.166267
    37  H    8.720734   8.410637   9.476134   7.720665   8.602963
    38  H    7.748399   7.858543   8.871216   7.502191   8.593621
    39  H    6.688054   7.016009   7.880222   6.950656   8.089318
    40  H    5.785006   6.012833   6.633071   6.148087   7.153251
    41  Br   5.210439   4.547003   4.887499   4.501027   5.054838
    42  H    5.311196   4.027543   4.786727   3.169115   3.701114
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.449122   0.000000
    13  C    2.445984   1.413383   0.000000
    14  C    2.814555   2.459785   1.426449   0.000000
    15  C    2.559315   1.444430   2.450846   3.757332   0.000000
    16  C    3.768891   2.446264   2.804553   4.230915   1.420690
    17  C    4.222876   2.814336   2.410399   3.705301   2.458411
    18  C    3.738335   2.453768   1.419448   2.463393   2.819111
    19  C    3.154615   2.569917   3.786520   4.971864   1.444594
    20  C    4.434068   3.792089   4.903599   6.196632   2.454206
    21  C    5.162982   4.235823   5.059350   6.459715   2.822092
    22  C    4.924428   3.738327   4.220918   5.646762   2.458625
    23  C    3.239696   3.151008   4.422733   5.335957   2.558405
    24  C    5.354085   4.980223   6.197823   7.417271   3.761711
    25  C    5.330873   5.254579   6.568765   7.629166   4.277442
    26  C    4.417863   4.510349   5.824197   6.718118   3.825137
    27  C    5.076525   5.427047   6.702230   7.391305   4.994598
    28  C    4.864968   5.357628   6.500891   6.956561   5.242887
    29  C    3.878716   4.297905   5.300627   5.665980   4.400890
    30  C    2.948409   3.063638   4.132643   4.734528   3.040070
    31  H    3.433371   3.918703   3.411391   2.124491   5.348488
    32  H    3.896213   3.425027   2.159409   1.082956   4.597954
    33  H    5.291502   3.894131   3.398693   4.583964   3.428486
    34  H    4.587035   3.424234   2.158735   2.664829   3.899048
    35  H    6.191614   5.307087   6.111599   7.518982   3.902038
    36  H    5.836650   4.583028   4.821210   6.220660   3.428199
    37  H    6.322828   5.889532   7.051605   8.325886   4.602421
    38  H    6.278037   6.302561   7.633606   8.662111   5.355794
    39  H    6.059549   6.441160   7.744391   8.452581   5.934414
    40  H    5.720274   6.320277   7.413677   7.743240   6.296099
    41  Br   4.602203   5.127432   5.760458   5.682937   5.625359
    42  H    2.545406   2.444275   3.261890   3.777610   2.739687
                   16         17         18         19         20
    16  C    0.000000
    17  C    1.419216   0.000000
    18  C    2.412836   1.359145   0.000000
    19  C    2.444555   3.735950   4.230121   0.000000
    20  C    2.805269   4.220487   5.057028   1.413567   0.000000
    21  C    2.414484   3.704713   4.826651   2.453566   1.419599
    22  C    1.419475   2.460423   3.704006   2.812148   2.409315
    23  C    3.766226   4.920115   5.153176   1.448925   2.443321
    24  C    4.231299   5.645481   6.456904   2.461239   1.426225
    25  C    5.076833   6.460774   7.067632   2.841905   2.424610
    26  C    4.910388   6.176788   6.528000   2.479247   2.815136
    27  C    6.176948   7.362406   7.554209   3.767452   4.223116
    28  C    6.522389   7.533170   7.489598   4.278238   5.070194
    29  C    5.697933   6.534259   6.330641   3.756413   4.845038
    30  C    4.328984   5.188084   5.072819   2.509630   3.737833
    31  H    6.131164   5.790752   4.585532   6.289984   7.630283
    32  H    4.829407   4.015736   2.661400   5.879597   7.048223
    33  H    2.157012   1.082784   2.128851   4.581298   4.820577
    34  H    3.401389   2.128485   1.082748   5.300743   6.108355
    35  H    3.402951   4.586400   5.791470   3.424449   2.159256
    36  H    2.156634   2.663224   4.017722   3.892159   3.397509
    37  H    4.829657   6.222644   7.172233   3.425942   2.158921
    38  H    6.133042   7.526285   8.149911   3.923238   3.412501
    39  H    7.058265   8.302725   8.568559   4.626722   4.840621
    40  H    7.586201   8.562071   8.452215   5.357996   6.125856
    41  Br   6.868995   7.402291   6.881348   5.344701   6.565732
    42  H    3.948431   4.551314   4.235876   2.747605   4.101499
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.358931   0.000000
    23  C    3.736765   4.220134   0.000000
    24  C    2.462280   3.703209   2.811716   0.000000
    25  C    3.706513   4.826404   2.460017   1.355590   0.000000
    26  C    4.225289   5.054997   1.421805   2.409763   1.423831
    27  C    5.628175   6.426465   2.446703   3.694419   2.464123
    28  C    6.443024   7.026145   2.830011   4.829403   3.724362
    29  C    6.105383   6.428135   2.415970   5.007303   4.193612
    30  C    4.897408   5.105175   1.410609   4.205525   3.725802
    31  H    8.151914   7.526584   6.251527   8.661019   8.589628
    32  H    7.173982   6.223989   6.301970   8.322214   8.596688
    33  H    4.018138   2.663914   5.833320   6.218309   7.164758
    34  H    5.791043   4.585798   6.180236   7.514540   8.134723
    35  H    1.082688   2.128605   4.585835   2.663878   4.013266
    36  H    2.128054   1.082842   5.289146   4.581237   5.783074
    37  H    2.659116   4.012868   3.893322   1.082919   2.122979
    38  H    4.585126   5.789377   3.433287   2.125260   1.082787
    39  H    6.222815   7.161405   3.420793   4.020102   2.673447
    40  H    7.505285   8.103598   3.909911   5.791909   4.602774
    41  Br   7.716836   7.815741   4.174012   6.873532   6.100681
    42  H    5.039785   4.955398   2.160411   4.856402   4.602594
                   26         27         28         29         30
    26  C    0.000000
    27  C    1.410457   0.000000
    28  C    2.428326   1.372058   0.000000
    29  C    2.774752   2.381103   1.401443   0.000000
    30  C    2.424715   2.777053   2.422979   1.370023   0.000000
    31  H    7.483183   7.823671   7.118626   5.867132   5.363905
    32  H    7.703551   8.380989   7.907820   6.577792   5.670231
    33  H    7.021108   8.254071   8.490604   7.524441   6.176954
    34  H    7.569254   8.553931   8.408459   7.187762   5.988326
    35  H    4.822511   6.199663   7.151246   6.961492   5.826358
    36  H    6.099269   7.473039   8.081303   7.463559   6.135403
    37  H    3.398323   4.576312   5.791642   6.059450   5.282993
    38  H    2.164396   2.680850   4.047887   4.809415   4.583121
    39  H    2.150925   1.083036   2.129065   3.369160   3.859787
    40  H    3.413171   2.142032   1.080234   2.159456   3.395370
    41  Br   4.683997   4.139771   2.862980   1.909708   2.842025
    42  H    3.406220   3.852320   3.389186   2.116538   1.076235
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.463423   0.000000
    33  H    6.698324   4.713733   0.000000
    34  H    4.708541   2.405095   2.471606   0.000000
    35  H    9.222039   8.210006   4.718435   6.707935   0.000000
    36  H    8.204871   6.656025   2.409390   4.718386   2.470920
    37  H    9.648170   9.199551   6.652968   8.206667   2.402372
    38  H    9.524588   9.643598   8.202670   9.217432   4.707315
    39  H    8.843948   9.451613   9.157714   9.583731   6.648333
    40  H    7.678855   8.670519   9.527913   9.335361   8.184505
    41  Br   5.372307   6.429964   8.401304   7.537019   8.641942
    42  H    4.532009   4.659452   5.561044   5.073843   6.052152
                   36         37         38         39         40
    36  H    0.000000
    37  H    4.709724   0.000000
    38  H    6.695694   2.463500   0.000000
    39  H    8.182383   4.720430   2.432732   0.000000
    40  H    9.155851   6.704162   4.744405   2.471374   0.000000
    41  Br   8.793201   7.932692   6.688577   4.990387   2.964650
    42  H    5.916995   5.914428   5.534247   4.934756   4.269688
                   41         42
    41  Br   0.000000
    42  H    2.921474   0.000000
 Stoichiometry    C26H15Br
 Framework group  C1[X(C26H15Br)]
 Deg. of freedom   120
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.28D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534958   -0.639268
     17          6           0       -3.692510   -1.798849   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709541   -0.047099
     22          6           0       -4.337685    0.487360   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332235    3.372974    0.618459
     25          6           0       -1.040914    3.763875    0.750029
     26          6           0        0.014712    2.893138    0.356628
     27          6           0        1.350985    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288904   -4.474696    0.057484
     32          1           0       -0.817830   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942774   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467363    0.093003
     36          1           0       -5.350606    0.258293   -0.856644
     37          1           0       -3.141497    4.061418    0.827867
     38          1           0       -0.794277    4.761695    1.090549
     39          1           0        1.568631    4.342013    0.692153
     40          1           0        3.386562    2.908507   -0.172645
     41         35           0        3.423691    0.224871   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.2187617           0.1676240           0.1216333
 Leave Link  202 at Thu Jul 15 17:41:59 2021, MaxMem= 16106127360 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       1      4      6      8     31     32     33     34     35     36
 Centers:      37     38     39     40     42
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      5      7      9     10     11     12     13     14
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     29     30
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      41
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  1.9840000000D-04
     Exponent=  9.5938000000D+04 Coefficients=  1.5400000000D-03
     Exponent=  2.1833000000D+04 Coefficients=  8.0096000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  3.2734100000D-02
     Exponent=  2.0157000000D+03 Coefficients=  1.0744800000D-01
     Exponent=  7.2710000000D+02 Coefficients=  2.6889460000D-01
     Exponent=  2.8328000000D+02 Coefficients=  4.2044110000D-01
     Exponent=  1.1591000000D+02 Coefficients=  2.8380410000D-01
     Exponent=  3.6124000000D+01 Coefficients=  3.1545500000D-02
     Exponent=  1.5532000000D+01 Coefficients= -7.4268000000D-03
     Exponent=  4.7857000000D+00 Coefficients=  2.7728000000D-03
     Exponent=  2.0817000000D+00 Coefficients= -1.3635000000D-03
     Exponent=  4.2028000000D-01 Coefficients=  3.8120000000D-04
     Exponent=  1.6069000000D-01 Coefficients= -1.6150000000D-04
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -6.2500000000D-05
     Exponent=  9.5938000000D+04 Coefficients= -4.8160000000D-04
     Exponent=  2.1833000000D+04 Coefficients= -2.5466000000D-03
     Exponent=  6.1819000000D+03 Coefficients= -1.0411200000D-02
     Exponent=  2.0157000000D+03 Coefficients= -3.6517900000D-02
     Exponent=  7.2710000000D+02 Coefficients= -9.9629500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.1413100000D-01
     Exponent=  1.1591000000D+02 Coefficients= -1.8609110000D-01
     Exponent=  3.6124000000D+01 Coefficients=  4.6282610000D-01
     Exponent=  1.5532000000D+01 Coefficients=  6.4411410000D-01
     Exponent=  4.7857000000D+00 Coefficients=  8.2550200000D-02
     Exponent=  2.0817000000D+00 Coefficients= -1.4969400000D-02
     Exponent=  4.2028000000D-01 Coefficients=  3.5288000000D-03
     Exponent=  1.6069000000D-01 Coefficients= -1.4909000000D-03
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  2.4800000000D-05
     Exponent=  9.5938000000D+04 Coefficients=  1.9190000000D-04
     Exponent=  2.1833000000D+04 Coefficients=  1.0100000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  4.1659000000D-03
     Exponent=  2.0157000000D+03 Coefficients=  1.4568300000D-02
     Exponent=  7.2710000000D+02 Coefficients=  4.0834500000D-02
     Exponent=  2.8328000000D+02 Coefficients=  8.9485900000D-02
     Exponent=  1.1591000000D+02 Coefficients=  8.7278600000D-02
     Exponent=  3.6124000000D+01 Coefficients= -2.9336440000D-01
     Exponent=  1.5532000000D+01 Coefficients= -5.6671090000D-01
     Exponent=  4.7857000000D+00 Coefficients=  5.1056580000D-01
     Exponent=  2.0817000000D+00 Coefficients=  7.4772140000D-01
     Exponent=  4.2028000000D-01 Coefficients=  4.2151200000D-02
     Exponent=  1.6069000000D-01 Coefficients= -1.0661200000D-02
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -7.6000000000D-06
     Exponent=  9.5938000000D+04 Coefficients= -5.8800000000D-05
     Exponent=  2.1833000000D+04 Coefficients= -3.0920000000D-04
     Exponent=  6.1819000000D+03 Coefficients= -1.2766000000D-03
     Exponent=  2.0157000000D+03 Coefficients= -4.4634000000D-03
     Exponent=  7.2710000000D+02 Coefficients= -1.2557500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.7614500000D-02
     Exponent=  1.1591000000D+02 Coefficients= -2.7394500000D-02
     Exponent=  3.6124000000D+01 Coefficients=  9.6409400000D-02
     Exponent=  1.5532000000D+01 Coefficients=  1.9768710000D-01
     Exponent=  4.7857000000D+00 Coefficients= -2.2666930000D-01
     Exponent=  2.0817000000D+00 Coefficients= -5.2411650000D-01
     Exponent=  4.2028000000D-01 Coefficients=  6.8898650000D-01
     Exponent=  1.6069000000D-01 Coefficients=  5.3443310000D-01
 S 1 1.00
     Exponent=  1.6069000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.6946000000D-02 Coefficients=  1.0000000000D+00
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.4448000000D-03
     Exponent=  1.0289000000D+03 Coefficients=  1.2128800000D-02
     Exponent=  3.3202000000D+02 Coefficients=  6.0807700000D-02
     Exponent=  1.2516000000D+02 Coefficients=  2.0093580000D-01
     Exponent=  5.1511000000D+01 Coefficients=  4.0474190000D-01
     Exponent=  2.2281000000D+01 Coefficients=  3.9571510000D-01
     Exponent=  9.3417000000D+00 Coefficients=  1.1022130000D-01
     Exponent=  4.0132000000D+00 Coefficients= -9.0900000000D-04
     Exponent=  1.7002000000D+00 Coefficients=  2.4832000000D-03
     Exponent=  4.7194000000D-01 Coefficients= -5.7440000000D-04
     Exponent=  1.4421000000D-01 Coefficients=  1.6910000000D-04
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients= -5.8190000000D-04
     Exponent=  1.0289000000D+03 Coefficients= -4.9065000000D-03
     Exponent=  3.3202000000D+02 Coefficients= -2.5251400000D-02
     Exponent=  1.2516000000D+02 Coefficients= -8.6944500000D-02
     Exponent=  5.1511000000D+01 Coefficients= -1.8934220000D-01
     Exponent=  2.2281000000D+01 Coefficients= -1.7108820000D-01
     Exponent=  9.3417000000D+00 Coefficients=  2.3687550000D-01
     Exponent=  4.0132000000D+00 Coefficients=  5.8984000000D-01
     Exponent=  1.7002000000D+00 Coefficients=  3.1719440000D-01
     Exponent=  4.7194000000D-01 Coefficients=  1.7983300000D-02
     Exponent=  1.4421000000D-01 Coefficients= -1.4683000000D-03
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.5180000000D-04
     Exponent=  1.0289000000D+03 Coefficients=  1.2563000000D-03
     Exponent=  3.3202000000D+02 Coefficients=  6.6224000000D-03
     Exponent=  1.2516000000D+02 Coefficients=  2.2381600000D-02
     Exponent=  5.1511000000D+01 Coefficients=  5.0971700000D-02
     Exponent=  2.2281000000D+01 Coefficients=  4.1400900000D-02
     Exponent=  9.3417000000D+00 Coefficients= -7.0397000000D-02
     Exponent=  4.0132000000D+00 Coefficients= -2.2325400000D-01
     Exponent=  1.7002000000D+00 Coefficients= -5.6417900000D-02
     Exponent=  4.7194000000D-01 Coefficients=  5.8080790000D-01
     Exponent=  1.4421000000D-01 Coefficients=  5.5081320000D-01
 P 1 1.00
     Exponent=  1.4421000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1049000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.0483000000D+02 Coefficients=  2.2658300000D-02
     Exponent=  3.0272000000D+01 Coefficients=  1.3458950000D-01
     Exponent=  1.0649000000D+01 Coefficients=  3.6471810000D-01
     Exponent=  3.8696000000D+00 Coefficients=  4.9041960000D-01
     Exponent=  1.3239000000D+00 Coefficients=  2.7138850000D-01
 D 1 1.00
     Exponent=  4.0980000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7190000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  108 primitive shells out of 948 were deleted.
 There are   824 symmetry adapted cartesian basis functions of A   symmetry.
 There are   769 symmetry adapted basis functions of A   symmetry.
   769 basis functions,  1559 primitive gaussians,   824 cartesian basis functions
   103 alpha electrons      103 beta electrons
       nuclear repulsion energy      2775.6360966885 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   42 NActive=   42 NUniq=   42 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul 15 17:42:00 2021, MaxMem= 16106127360 cpu:              22.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   769 RedAO= T EigKep=  1.01D-06  NBF=   769
 NBsUse=   757 1.00D-06 EigRej=  9.38D-07 NBFU=   757
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   824   824   824   824   824 MxSgAt=    42 MxSgA2=    42.
 Leave Link  302 at Thu Jul 15 17:42:02 2021, MaxMem= 16106127360 cpu:              24.3 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 15 17:42:02 2021, MaxMem= 16106127360 cpu:               3.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "24_bromohexahelicene_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 15 17:42:05 2021, MaxMem= 16106127360 cpu:              35.4 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16104748798 LenY= 16104068998
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -3573.11864911163    
 DIIS: error= 3.76D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3573.11864911163     IErMin= 1 ErrMin= 3.76D-03
 ErrMax= 3.76D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-02 BMatP= 3.52D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.76D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.286 Goal=   None    Shift=    0.000
 GapD=    0.286 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.92D-02 MaxDP=9.67D+00              OVMax= 2.34D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.67D-02    CP:  1.70D+00
 E= -3573.14741001009     Delta-E=       -0.028760898466 Rises=F Damp=F
 DIIS: error= 4.93D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3573.14741001009     IErMin= 2 ErrMin= 4.93D-04
 ErrMax= 4.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-04 BMatP= 3.52D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.93D-03
 Coeff-Com: -0.384D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.382D-01 0.104D+01
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=1.92D-02 MaxDP=2.24D+00 DE=-2.88D-02 OVMax= 7.44D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.92D-03    CP:  1.84D+00  1.18D+00
 E= -3573.14835572203     Delta-E=       -0.000945711935 Rises=F Damp=F
 DIIS: error= 2.84D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3573.14835572203     IErMin= 3 ErrMin= 2.84D-04
 ErrMax= 2.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-05 BMatP= 5.30D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.84D-03
 Coeff-Com: -0.182D-01 0.175D+00 0.843D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.182D-01 0.174D+00 0.844D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.66D-03 MaxDP=1.71D-01 DE=-9.46D-04 OVMax= 3.75D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.40D-04    CP:  1.85D+00  1.19D+00  1.10D+00
 E= -3573.14845773852     Delta-E=       -0.000102016494 Rises=F Damp=F
 DIIS: error= 1.18D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3573.14845773852     IErMin= 4 ErrMin= 1.18D-04
 ErrMax= 1.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-05 BMatP= 7.36D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.18D-03
 Coeff-Com: -0.379D-02-0.311D-01 0.353D+00 0.681D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.378D-02-0.311D-01 0.353D+00 0.682D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.24D-04 MaxDP=2.96D-02 DE=-1.02D-04 OVMax= 1.89D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.94D-04    CP:  1.85D+00  1.19D+00  1.14D+00  1.08D+00
 E= -3573.14849754754     Delta-E=       -0.000039809022 Rises=F Damp=F
 DIIS: error= 7.30D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3573.14849754754     IErMin= 5 ErrMin= 7.30D-05
 ErrMax= 7.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.17D-06 BMatP= 2.78D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.187D-02-0.471D-01 0.587D-02 0.298D+00 0.741D+00
 Coeff:      0.187D-02-0.471D-01 0.587D-02 0.298D+00 0.741D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.16D-04 MaxDP=1.00D-02 DE=-3.98D-05 OVMax= 1.12D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.71D-05    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.20D+00
 E= -3573.14850752877     Delta-E=       -0.000009981227 Rises=F Damp=F
 DIIS: error= 2.20D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3573.14850752877     IErMin= 6 ErrMin= 2.20D-05
 ErrMax= 2.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-07 BMatP= 5.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-02-0.972D-02-0.619D-01-0.181D-01 0.260D+00 0.828D+00
 Coeff:      0.127D-02-0.972D-02-0.619D-01-0.181D-01 0.260D+00 0.828D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=7.59D-05 MaxDP=5.82D-03 DE=-9.98D-06 OVMax= 5.95D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.09D-05    CP:  1.85D+00  1.19D+00  1.15D+00  1.15D+00  1.28D+00
                    CP:  1.23D+00
 E= -3573.14850965216     Delta-E=       -0.000002123390 Rises=F Damp=F
 DIIS: error= 1.08D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3573.14850965216     IErMin= 7 ErrMin= 1.08D-05
 ErrMax= 1.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-07 BMatP= 7.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.980D-05 0.653D-02-0.186D-01-0.656D-01-0.836D-01 0.249D+00
 Coeff-Com:  0.913D+00
 Coeff:     -0.980D-05 0.653D-02-0.186D-01-0.656D-01-0.836D-01 0.249D+00
 Coeff:      0.913D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.75D-05 MaxDP=3.16D-03 DE=-2.12D-06 OVMax= 2.88D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.77D-05    CP:  1.85D+00  1.19D+00  1.15D+00  1.15D+00  1.32D+00
                    CP:  1.34D+00  1.21D+00
 E= -3573.14851003482     Delta-E=       -0.000000382662 Rises=F Damp=F
 DIIS: error= 2.54D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3573.14851003482     IErMin= 8 ErrMin= 2.54D-06
 ErrMax= 2.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-08 BMatP= 1.25D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-03 0.363D-02 0.162D-02-0.214D-01-0.681D-01-0.153D-01
 Coeff-Com:  0.349D+00 0.751D+00
 Coeff:     -0.165D-03 0.363D-02 0.162D-02-0.214D-01-0.681D-01-0.153D-01
 Coeff:      0.349D+00 0.751D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=8.33D-06 MaxDP=7.72D-04 DE=-3.83D-07 OVMax= 7.86D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.14D-06    CP:  1.85D+00  1.19D+00  1.15D+00  1.15D+00  1.32D+00
                    CP:  1.36D+00  1.30D+00  1.04D+00
 E= -3573.14851006959     Delta-E=       -0.000000034773 Rises=F Damp=F
 DIIS: error= 7.58D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3573.14851006959     IErMin= 9 ErrMin= 7.58D-07
 ErrMax= 7.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-09 BMatP= 1.82D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.534D-04 0.520D-03 0.275D-02 0.172D-03-0.157D-01-0.353D-01
 Coeff-Com:  0.238D-01 0.278D+00 0.746D+00
 Coeff:     -0.534D-04 0.520D-03 0.275D-02 0.172D-03-0.157D-01-0.353D-01
 Coeff:      0.238D-01 0.278D+00 0.746D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=5.41D-06 MaxDP=6.46D-04 DE=-3.48D-08 OVMax= 2.14D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.02D-06    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.36D+00  1.32D+00  1.09D+00  1.25D+00
 E= -3573.14851007221     Delta-E=       -0.000000002616 Rises=F Damp=F
 DIIS: error= 2.26D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3573.14851007221     IErMin=10 ErrMin= 2.26D-07
 ErrMax= 2.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-10 BMatP= 2.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.630D-05-0.364D-03 0.654D-03 0.339D-02 0.544D-02-0.966D-02
 Coeff-Com: -0.442D-01-0.226D-01 0.218D+00 0.850D+00
 Coeff:      0.630D-05-0.364D-03 0.654D-03 0.339D-02 0.544D-02-0.966D-02
 Coeff:     -0.442D-01-0.226D-01 0.218D+00 0.850D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.16D-06 MaxDP=3.43D-04 DE=-2.62D-09 OVMax= 8.15D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.36D+00  1.33D+00  1.13D+00  1.39D+00  1.29D+00
 E= -3573.14851007258     Delta-E=       -0.000000000371 Rises=F Damp=F
 DIIS: error= 1.34D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3573.14851007258     IErMin=11 ErrMin= 1.34D-07
 ErrMax= 1.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-11 BMatP= 1.90D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.582D-05-0.167D-03 0.191D-04 0.116D-02 0.321D-02-0.924D-03
 Coeff-Com: -0.170D-01-0.278D-01 0.195D-01 0.297D+00 0.725D+00
 Coeff:      0.582D-05-0.167D-03 0.191D-04 0.116D-02 0.321D-02-0.924D-03
 Coeff:     -0.170D-01-0.278D-01 0.195D-01 0.297D+00 0.725D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.13D-06 MaxDP=6.67D-05 DE=-3.71D-10 OVMax= 2.98D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.04D-07    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.36D+00  1.33D+00  1.14D+00  1.46D+00  1.49D+00
                    CP:  1.61D+00
 E= -3573.14851007201     Delta-E=        0.000000000572 Rises=F Damp=F
 DIIS: error= 5.30D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -3573.14851007258     IErMin=12 ErrMin= 5.30D-08
 ErrMax= 5.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-12 BMatP= 2.56D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-06 0.381D-04-0.142D-03-0.472D-03-0.342D-03 0.193D-02
 Coeff-Com:  0.580D-02-0.194D-02-0.481D-01-0.121D+00 0.202D+00 0.962D+00
 Coeff:      0.181D-06 0.381D-04-0.142D-03-0.472D-03-0.342D-03 0.193D-02
 Coeff:      0.580D-02-0.194D-02-0.481D-01-0.121D+00 0.202D+00 0.962D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.69D-06 MaxDP=1.05D-04 DE= 5.72D-10 OVMax= 2.33D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.30D-07    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.36D+00  1.34D+00  1.15D+00  1.54D+00  1.80D+00
                    CP:  2.57D+00  2.47D+00
 E= -3573.14851007195     Delta-E=        0.000000000056 Rises=F Damp=F
 DIIS: error= 4.64D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -3573.14851007258     IErMin=13 ErrMin= 4.64D-08
 ErrMax= 4.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-12 BMatP= 5.59D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.868D-06 0.363D-04-0.400D-04-0.301D-03-0.616D-03 0.602D-03
 Coeff-Com:  0.412D-02 0.425D-02-0.163D-01-0.771D-01-0.554D-01 0.239D+00
 Coeff-Com:  0.902D+00
 Coeff:     -0.868D-06 0.363D-04-0.400D-04-0.301D-03-0.616D-03 0.602D-03
 Coeff:      0.412D-02 0.425D-02-0.163D-01-0.771D-01-0.554D-01 0.239D+00
 Coeff:      0.902D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.94D-06 MaxDP=1.19D-04 DE= 5.64D-11 OVMax= 1.18D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.78D-07    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.36D+00  1.35D+00  1.17D+00  1.63D+00  2.13D+00
                    CP:  3.00D+00  3.00D+00  2.38D+00
 E= -3573.14851007077     Delta-E=        0.000000001181 Rises=F Damp=F
 DIIS: error= 5.44D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -3573.14851007258     IErMin=13 ErrMin= 4.64D-08
 ErrMax= 5.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.90D-13 BMatP= 1.08D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.412D-06 0.903D-05 0.452D-05-0.458D-04-0.200D-03-0.415D-04
 Coeff-Com:  0.735D-03 0.198D-02 0.231D-03-0.115D-01-0.494D-01-0.596D-01
 Coeff-Com:  0.319D+00 0.799D+00
 Coeff:     -0.412D-06 0.903D-05 0.452D-05-0.458D-04-0.200D-03-0.415D-04
 Coeff:      0.735D-03 0.198D-02 0.231D-03-0.115D-01-0.494D-01-0.596D-01
 Coeff:      0.319D+00 0.799D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.00D-06 MaxDP=1.24D-04 DE= 1.18D-09 OVMax= 5.78D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.36D+00  1.36D+00  1.19D+00  1.72D+00  2.48D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  2.59D+00
 E= -3573.14851007035     Delta-E=        0.000000000424 Rises=F Damp=F
 DIIS: error= 5.85D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=11 EnMin= -3573.14851007258     IErMin=13 ErrMin= 4.64D-08
 ErrMax= 5.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-13 BMatP= 5.90D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-06 0.336D-05 0.229D-05-0.130D-04-0.770D-04-0.220D-04
 Coeff-Com:  0.240D-03 0.807D-03 0.298D-03-0.327D-02-0.192D-01-0.290D-01
 Coeff-Com:  0.103D+00 0.355D+00 0.592D+00
 Coeff:     -0.182D-06 0.336D-05 0.229D-05-0.130D-04-0.770D-04-0.220D-04
 Coeff:      0.240D-03 0.807D-03 0.298D-03-0.327D-02-0.192D-01-0.290D-01
 Coeff:      0.103D+00 0.355D+00 0.592D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.42D-06 MaxDP=8.81D-05 DE= 4.24D-10 OVMax= 1.48D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  7.13D-07    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.36D+00  1.36D+00  1.20D+00  1.78D+00  2.72D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  2.13D+00
 E= -3573.14851006961     Delta-E=        0.000000000738 Rises=F Damp=F
 DIIS: error= 6.30D-08 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=11 EnMin= -3573.14851007258     IErMin=13 ErrMin= 4.64D-08
 ErrMax= 6.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-13 BMatP= 4.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-7.82D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.114D-04 0.332D-04 0.143D-03 0.112D-03-0.475D-03-0.173D-02
 Coeff-Com:  0.401D-03 0.123D-01 0.371D-01-0.420D-01-0.266D+00-0.116D+00
 Coeff-Com:  0.128D+01 0.418D+01-0.408D+01
 Coeff:     -0.114D-04 0.332D-04 0.143D-03 0.112D-03-0.475D-03-0.173D-02
 Coeff:      0.401D-03 0.123D-01 0.371D-01-0.420D-01-0.266D+00-0.116D+00
 Coeff:      0.128D+01 0.418D+01-0.408D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=6.38D-06 MaxDP=3.90D-04 DE= 7.38D-10 OVMax= 2.32D-07

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  2.37D-07    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.36D+00  1.34D+00  1.15D+00  1.49D+00  1.63D+00
                    CP:  2.01D+00  1.49D+00  1.30D-01 -2.66D-02  8.10D-02
                    CP: -1.20D-02
 E= -3573.14851007162     Delta-E=       -0.000000002012 Rises=F Damp=F
 DIIS: error= 4.01D-08 at cycle  17 NSaved=  16.
 NSaved=16 IEnMin=10 EnMin= -3573.14851007258     IErMin=16 ErrMin= 4.01D-08
 ErrMax= 4.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-13 BMatP= 4.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-7.85D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.820D-05 0.380D-04 0.268D-04-0.111D-03-0.483D-03 0.114D-03
 Coeff-Com:  0.444D-02 0.162D-01-0.811D-04-0.783D-01-0.308D+00 0.124D+00
 Coeff-Com:  0.321D+01-0.387D+01 0.190D+01
 Coeff:      0.820D-05 0.380D-04 0.268D-04-0.111D-03-0.483D-03 0.114D-03
 Coeff:      0.444D-02 0.162D-01-0.811D-04-0.783D-01-0.308D+00 0.124D+00
 Coeff:      0.321D+01-0.387D+01 0.190D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=8.26D-06 MaxDP=5.12D-04 DE=-2.01D-09 OVMax= 3.00D-07

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  1.58D-06    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.32D+00
                    CP:  1.35D+00  1.31D+00  1.08D+00  1.11D+00  2.10D-01
                    CP: -2.50D+00 -3.00D+00 -3.00D+00 -1.25D+00 -1.20D+00
                    CP: -2.18D-01  3.00D+00
 E= -3573.14851007472     Delta-E=       -0.000000003099 Rises=F Damp=F
 DIIS: error= 7.62D-09 at cycle  18 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3573.14851007472     IErMin=16 ErrMin= 7.62D-09
 ErrMax= 7.62D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-14 BMatP= 2.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.48D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.284D-05 0.144D-04 0.393D-04-0.124D-04-0.357D-03-0.102D-02
 Coeff-Com: -0.298D-04 0.161D-01 0.491D-01-0.120D+00-0.394D+00-0.248D-01
 Coeff-Com: -0.111D+00 0.669D+00 0.916D+00
 Coeff:      0.284D-05 0.144D-04 0.393D-04-0.124D-04-0.357D-03-0.102D-02
 Coeff:     -0.298D-04 0.161D-01 0.491D-01-0.120D+00-0.394D+00-0.248D-01
 Coeff:     -0.111D+00 0.669D+00 0.916D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.36D-06 MaxDP=8.78D-05 DE=-3.10D-09 OVMax= 2.51D-07

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  1.22D-07    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.31D+00
                    CP:  1.35D+00  1.30D+00  1.07D+00  1.05D+00 -2.98D-02
                    CP: -3.00D+00 -3.00D+00 -3.00D+00 -1.89D+00 -1.82D+00
                    CP: -2.61D-01  3.00D+00  1.27D+00
 E= -3573.14851007624     Delta-E=       -0.000000001517 Rises=F Damp=F
 DIIS: error= 4.24D-09 at cycle  19 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3573.14851007624     IErMin=16 ErrMin= 4.24D-09
 ErrMax= 4.24D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-15 BMatP= 4.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.47D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.213D-05 0.116D-04 0.140D-04-0.112D-03-0.570D-03-0.135D-02
 Coeff-Com:  0.323D-02 0.211D-01 0.820D-02-0.984D-01-0.420D+00 0.456D+00
 Coeff-Com: -0.142D+00 0.223D+00 0.950D+00
 Coeff:     -0.213D-05 0.116D-04 0.140D-04-0.112D-03-0.570D-03-0.135D-02
 Coeff:      0.323D-02 0.211D-01 0.820D-02-0.984D-01-0.420D+00 0.456D+00
 Coeff:     -0.142D+00 0.223D+00 0.950D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=8.25D-07 MaxDP=5.05D-05 DE=-1.52D-09 OVMax= 1.16D-07

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  4.91D-08    CP:  1.85D+00  1.19D+00  1.15D+00  1.14D+00  1.31D+00
                    CP:  1.35D+00  1.30D+00  1.06D+00  1.01D+00 -1.72D-01
                    CP: -3.00D+00 -3.00D+00 -3.00D+00 -2.55D+00 -2.47D+00
                    CP: -2.67D-01  3.00D+00  1.29D+00  1.24D+00
 E= -3573.14851007598     Delta-E=        0.000000000262 Rises=F Damp=F
 DIIS: error= 2.67D-09 at cycle  20 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3573.14851007624     IErMin=16 ErrMin= 2.67D-09
 ErrMax= 2.67D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-15 BMatP= 9.29D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.24D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.382D-05 0.746D-06-0.351D-04-0.124D-03-0.450D-03-0.512D-03
 Coeff-Com:  0.268D-02 0.141D-01 0.181D-01-0.110D+00 0.921D-01-0.109D+00
 Coeff-Com: -0.444D-01 0.250D+00 0.887D+00
 Coeff:      0.382D-05 0.746D-06-0.351D-04-0.124D-03-0.450D-03-0.512D-03
 Coeff:      0.268D-02 0.141D-01 0.181D-01-0.110D+00 0.921D-01-0.109D+00
 Coeff:     -0.444D-01 0.250D+00 0.887D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=7.48D-07 MaxDP=4.67D-05 DE= 2.62D-10 OVMax= 5.49D-08

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3573.14851009714     Delta-E=       -0.000000021165 Rises=F Damp=F
 DIIS: error= 2.85D-07 at cycle  21 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3573.14851009714     IErMin=15 ErrMin= 2.67D-09
 ErrMax= 2.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.25D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.232D-05-0.242D-04-0.776D-04-0.370D-03-0.610D-03 0.215D-02
 Coeff-Com:  0.143D-01 0.202D-01-0.107D+00 0.883D-01-0.110D+00-0.484D-01
 Coeff-Com:  0.247D+00 0.895D+00-0.544D-03
 Coeff:     -0.232D-05-0.242D-04-0.776D-04-0.370D-03-0.610D-03 0.215D-02
 Coeff:      0.143D-01 0.202D-01-0.107D+00 0.883D-01-0.110D+00-0.484D-01
 Coeff:      0.247D+00 0.895D+00-0.544D-03
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.84D-08 MaxDP=1.07D-06 DE=-2.12D-08 OVMax= 1.44D-09

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  1.84D-08    CP:  1.00D+00
 E= -3573.14851009716     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 2.87D-07 at cycle  22 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3573.14851009716     IErMin=14 ErrMin= 2.67D-09
 ErrMax= 2.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-7.34D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.209D-04-0.805D-04-0.399D-03-0.611D-03 0.226D-02 0.130D-01
 Coeff-Com:  0.144D-01-0.116D+00 0.118D+00-0.104D+00-0.429D-01 0.233D+00
 Coeff-Com:  0.884D+00-0.564D+00 0.564D+00
 Coeff:     -0.209D-04-0.805D-04-0.399D-03-0.611D-03 0.226D-02 0.130D-01
 Coeff:      0.144D-01-0.116D+00 0.118D+00-0.104D+00-0.429D-01 0.233D+00
 Coeff:      0.884D+00-0.564D+00 0.564D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.19D-07 MaxDP=2.03D-05 DE=-2.09D-11 OVMax= 1.16D-08

 Cycle  23  Pass 1  IDiag  1:
 RMSU=  2.47D-07    CP:  1.00D+00 -3.00D+00
 E= -3573.14851009784     Delta-E=       -0.000000000683 Rises=F Damp=F
 DIIS: error= 2.76D-07 at cycle  23 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3573.14851009784     IErMin=13 ErrMin= 2.67D-09
 ErrMax= 2.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.27D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.442D-04-0.418D-03-0.947D-03 0.152D-02 0.139D-01 0.189D-01
 Coeff-Com: -0.107D+00 0.103D+00-0.104D+00-0.449D-01 0.232D+00 0.888D+00
 Coeff-Com: -0.115D+01 0.104D+01 0.109D+00
 Coeff:     -0.442D-04-0.418D-03-0.947D-03 0.152D-02 0.139D-01 0.189D-01
 Coeff:     -0.107D+00 0.103D+00-0.104D+00-0.449D-01 0.232D+00 0.888D+00
 Coeff:     -0.115D+01 0.104D+01 0.109D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.72D-08 MaxDP=1.60D-06 DE=-6.83D-10 OVMax= 1.01D-09

 Cycle  24  Pass 1  IDiag  1:
 RMSU=  1.00D-08    CP:  1.00D+00 -3.00D+00  8.98D-01
 E= -3573.14851009769     Delta-E=        0.000000000150 Rises=F Damp=F
 DIIS: error= 2.77D-07 at cycle  24 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3573.14851009784     IErMin=12 ErrMin= 2.67D-09
 ErrMax= 2.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-9.93D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.334D-03-0.988D-03 0.101D-02 0.132D-01 0.191D-01-0.105D+00
 Coeff-Com:  0.107D+00-0.106D+00-0.479D-01 0.230D+00 0.891D+00-0.176D+01
 Coeff-Com:  0.147D+01-0.958D+00 0.124D+01
 Coeff:     -0.334D-03-0.988D-03 0.101D-02 0.132D-01 0.191D-01-0.105D+00
 Coeff:      0.107D+00-0.106D+00-0.479D-01 0.230D+00 0.891D+00-0.176D+01
 Coeff:      0.147D+01-0.958D+00 0.124D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=7.90D-08 MaxDP=5.12D-06 DE= 1.50D-10 OVMax= 2.88D-09

 Cycle  25  Pass 1  IDiag  1:
 RMSU=  8.64D-09    CP:  1.00D+00 -3.00D+00  1.21D+00  1.50D+00
 E= -3573.14851009771     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 2.76D-07 at cycle  25 NSaved=  16.
 NSaved=16 IEnMin=14 EnMin= -3573.14851009784     IErMin=11 ErrMin= 2.67D-09
 ErrMax= 2.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.70D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.291D-03-0.113D-02-0.315D-03 0.107D-01 0.321D-01-0.291D-01
 Coeff-Com: -0.846D-01-0.595D-01 0.206D+00 0.929D+00-0.163D+01 0.134D+01
 Coeff-Com: -0.125D+01 0.914D+00 0.620D+00
 Coeff:     -0.291D-03-0.113D-02-0.315D-03 0.107D-01 0.321D-01-0.291D-01
 Coeff:     -0.846D-01-0.595D-01 0.206D+00 0.929D+00-0.163D+01 0.134D+01
 Coeff:     -0.125D+01 0.914D+00 0.620D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.90D-07 MaxDP=1.79D-05 DE=-1.91D-11 OVMax= 1.06D-08

 Cycle  26  Pass 1  IDiag  1:
 RMSU=  2.92D-08    CP:  1.00D+00 -2.32D+00  1.13D-01  3.00D+00  3.52D-01
 E= -3573.14851009763     Delta-E=        0.000000000085 Rises=F Damp=F
 DIIS: error= 2.84D-07 at cycle  26 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3573.14851009784     IErMin=10 ErrMin= 2.67D-09
 ErrMax= 2.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.56D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.320D-03-0.144D-02-0.159D-02 0.100D-01 0.378D-01-0.962D-01
 Coeff-Com: -0.881D-01 0.176D+00 0.970D+00-0.229D+01 0.119D+01-0.585D+00
 Coeff-Com: -0.920D+00 0.107D+01 0.153D+01
 Coeff:     -0.320D-03-0.144D-02-0.159D-02 0.100D-01 0.378D-01-0.962D-01
 Coeff:     -0.881D-01 0.176D+00 0.970D+00-0.229D+01 0.119D+01-0.585D+00
 Coeff:     -0.920D+00 0.107D+01 0.153D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.60D-07 MaxDP=1.68D-05 DE= 8.46D-11 OVMax= 9.10D-09

 Cycle  27  Pass 1  IDiag  1:
 RMSU=  1.78D-08    CP:  1.00D+00 -3.00D+00  1.08D+00  3.00D+00  3.00D+00
                    CP:  2.04D+00
 E= -3573.14851009702     Delta-E=        0.000000000605 Rises=F Damp=F
 DIIS: error= 2.78D-07 at cycle  27 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -3573.14851009784     IErMin= 9 ErrMin= 2.67D-09
 ErrMax= 2.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.61D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.111D-04 0.210D-03 0.214D-02 0.112D-02-0.757D-01-0.729D-01
 Coeff-Com:  0.182D+00 0.974D+00-0.271D+01 0.652D+00 0.185D+01-0.316D+01
 Coeff-Com: -0.669D+00 0.242D+01 0.160D+01
 Coeff:      0.111D-04 0.210D-03 0.214D-02 0.112D-02-0.757D-01-0.729D-01
 Coeff:      0.182D+00 0.974D+00-0.271D+01 0.652D+00 0.185D+01-0.316D+01
 Coeff:     -0.669D+00 0.242D+01 0.160D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.71D-07 MaxDP=1.24D-05 DE= 6.05D-10 OVMax= 9.71D-09

 Cycle  28  Pass 1  IDiag  1:
 RMSU=  1.21D-07    CP:  1.00D+00 -3.70D-01  4.08D-01  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00
 E= -3573.14851009720     Delta-E=       -0.000000000177 Rises=F Damp=F
 DIIS: error= 2.90D-07 at cycle  28 NSaved=  16.
 NSaved=16 IEnMin=11 EnMin= -3573.14851009784     IErMin= 8 ErrMin= 2.67D-09
 ErrMax= 2.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.91D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.110D-03-0.306D-03 0.715D-03-0.318D-02-0.586D-01 0.876D-01
 Coeff-Com:  0.987D+00-0.389D+01 0.156D+01 0.486D+00-0.111D+01-0.294D+00
 Coeff-Com:  0.217D+01 0.592D+00 0.469D+00
 Coeff:     -0.110D-03-0.306D-03 0.715D-03-0.318D-02-0.586D-01 0.876D-01
 Coeff:      0.987D+00-0.389D+01 0.156D+01 0.486D+00-0.111D+01-0.294D+00
 Coeff:      0.217D+01 0.592D+00 0.469D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=6.57D-07 MaxDP=4.20D-05 DE=-1.77D-10 OVMax= 2.39D-08

 Cycle  29  Pass 1  IDiag  1:
 RMSU=  2.76D-08    CP:  1.00D+00 -3.00D+00  2.84D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  8.31D-01
 E= -3573.14851009653     Delta-E=        0.000000000674 Rises=F Damp=F
 DIIS: error= 2.74D-07 at cycle  29 NSaved=  16.
 NSaved=16 IEnMin=10 EnMin= -3573.14851009784     IErMin= 7 ErrMin= 2.67D-09
 ErrMax= 2.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.69D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.218D-03-0.135D-03 0.183D-02-0.129D+00 0.134D-01 0.114D+01
 Coeff-Com: -0.352D+01 0.824D+00-0.164D+01-0.116D+01-0.387D+00 0.443D+01
 Coeff-Com: -0.222D+00 0.164D+00 0.149D+01
 Coeff:     -0.218D-03-0.135D-03 0.183D-02-0.129D+00 0.134D-01 0.114D+01
 Coeff:     -0.352D+01 0.824D+00-0.164D+01-0.116D+01-0.387D+00 0.443D+01
 Coeff:     -0.222D+00 0.164D+00 0.149D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.71D-07 MaxDP=1.60D-05 DE= 6.74D-10 OVMax= 9.87D-09

 Cycle  30  Pass 1  IDiag  1:
 RMSU=  1.53D-07    CP:  1.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  1.08D+00
 E= -3573.14851009642     Delta-E=        0.000000000105 Rises=F Damp=F
 DIIS: error= 2.78D-07 at cycle  30 NSaved=  16.
 NSaved=16 IEnMin= 9 EnMin= -3573.14851009784     IErMin= 6 ErrMin= 2.67D-09
 ErrMax= 2.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.42D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.107D-04-0.213D-03-0.141D+00 0.942D-02 0.117D+01-0.399D+01
 Coeff-Com:  0.246D+01-0.305D+01-0.176D+01 0.113D+00 0.474D+01 0.535D+00
 Coeff-Com: -0.104D+01 0.142D+01 0.536D+00
 Coeff:      0.107D-04-0.213D-03-0.141D+00 0.942D-02 0.117D+01-0.399D+01
 Coeff:      0.246D+01-0.305D+01-0.176D+01 0.113D+00 0.474D+01 0.535D+00
 Coeff:     -0.104D+01 0.142D+01 0.536D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.38D-07 MaxDP=6.02D-06 DE= 1.05D-10 OVMax= 4.15D-09

 Cycle  31  Pass 1  IDiag  1:
 RMSU=  5.33D-08    CP:  1.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  2.68D-01  1.77D+00
 E= -3573.14851009611     Delta-E=        0.000000000316 Rises=F Damp=F
 DIIS: error= 2.78D-07 at cycle  31 NSaved=  16.
 NSaved=16 IEnMin= 8 EnMin= -3573.14851009784     IErMin= 5 ErrMin= 2.67D-09
 ErrMax= 2.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.44D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.902D-04-0.149D+00 0.585D-02 0.118D+01-0.436D+01 0.305D+01
 Coeff-Com: -0.347D+01-0.181D+01 0.145D+00 0.489D+01 0.622D+00-0.125D+01
 Coeff-Com:  0.158D+01 0.128D+00 0.438D+00
 Coeff:     -0.902D-04-0.149D+00 0.585D-02 0.118D+01-0.436D+01 0.305D+01
 Coeff:     -0.347D+01-0.181D+01 0.145D+00 0.489D+01 0.622D+00-0.125D+01
 Coeff:      0.158D+01 0.128D+00 0.438D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=8.23D-08 MaxDP=3.93D-06 DE= 3.16D-10 OVMax= 2.51D-09

 Cycle  32  Pass 1  IDiag  1:
 RMSU=  1.62D-08    CP:  1.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -2.21D-02  2.21D+00
                    CP:  1.67D+00
 E= -3573.14851009619     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 2.79D-07 at cycle  32 NSaved=  16.
 NSaved=16 IEnMin= 7 EnMin= -3573.14851009784     IErMin= 4 ErrMin= 2.67D-09
 ErrMax= 2.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.64D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.150D+00 0.426D-02 0.118D+01-0.437D+01 0.302D+01-0.353D+01
 Coeff-Com: -0.180D+01 0.185D+00 0.495D+01 0.642D+00-0.127D+01 0.155D+01
 Coeff-Com:  0.166D+00 0.778D+00-0.344D+00
 Coeff:     -0.150D+00 0.426D-02 0.118D+01-0.437D+01 0.302D+01-0.353D+01
 Coeff:     -0.180D+01 0.185D+00 0.495D+01 0.642D+00-0.127D+01 0.155D+01
 Coeff:      0.166D+00 0.778D+00-0.344D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.68D-08 MaxDP=8.17D-07 DE=-8.55D-11 OVMax= 5.70D-10

 Cycle  33  Pass 1  IDiag  1:
 RMSU=  3.76D-09    CP:  1.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  9.05D-02  2.12D+00
                    CP:  1.55D+00  8.85D-01
 E= -3573.14851009720     Delta-E=       -0.000000001008 Rises=F Damp=F
 DIIS: error= 2.79D-07 at cycle  33 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3573.14851009784     IErMin= 3 ErrMin= 2.67D-09
 ErrMax= 2.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.61D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.111D+00 0.905D+00-0.378D+01 0.279D+01-0.976D+00-0.724D+00
 Coeff-Com:  0.136D+00 0.204D+01 0.312D+00-0.415D+00 0.324D+00 0.346D+00
 Coeff-Com: -0.803D+00-0.102D+01 0.177D+01
 Coeff:      0.111D+00 0.905D+00-0.378D+01 0.279D+01-0.976D+00-0.724D+00
 Coeff:      0.136D+00 0.204D+01 0.312D+00-0.415D+00 0.324D+00 0.346D+00
 Coeff:     -0.803D+00-0.102D+01 0.177D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=4.46D-07 MaxDP=1.74D-05 DE=-1.01D-09 OVMax= 2.91D-08

 Cycle  34  Pass 1  IDiag  1:
 RMSU=  1.16D-07    CP:  1.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  7.97D-01  1.14D+00  1.47D+00
                    CP:  1.21D+00 -3.00D+00 -3.00D+00
 E= -3573.14851009627     Delta-E=        0.000000000934 Rises=F Damp=F
 DIIS: error= 2.64D-07 at cycle  34 NSaved=  16.
 NSaved=16 IEnMin= 5 EnMin= -3573.14851009784     IErMin= 2 ErrMin= 2.67D-09
 ErrMax= 2.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-11 BMatP= 2.88D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.85D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.990D+00-0.594D+01 0.395D+01 0.292D+00-0.427D+00 0.317D+01
 Coeff-Com: -0.361D+00 0.219D+01-0.151D+01-0.503D+00 0.566D+00 0.317D+01
 Coeff-Com: -0.451D+01 0.218D+01-0.226D+01
 Coeff:      0.990D+00-0.594D+01 0.395D+01 0.292D+00-0.427D+00 0.317D+01
 Coeff:     -0.361D+00 0.219D+01-0.151D+01-0.503D+00 0.566D+00 0.317D+01
 Coeff:     -0.451D+01 0.218D+01-0.226D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=6.48D-07 MaxDP=2.36D-05 DE= 9.34D-10 OVMax= 3.27D-08

 Cycle  35  Pass 1  IDiag  1:
 RMSU=  1.59D-07    CP:  1.00D+00 -3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -2.94D+00 -1.31D+00  2.08D+00  3.00D+00
                    CP:  2.37D+00 -3.00D+00 -3.00D+00  3.00D+00
 E= -3573.14851009615     Delta-E=        0.000000000116 Rises=F Damp=F
 DIIS: error= 2.31D-07 at cycle  35 NSaved=  16.
 NSaved=16 IEnMin= 4 EnMin= -3573.14851009784     IErMin= 1 ErrMin= 4.24D-09
 ErrMax= 2.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-11 BMatP= 9.29D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.78D-18
 Inversion failed.  Reducing to 15 matrices.
 Large coefficients: NSaved= 15 BigCof=   86.92 CofMax=   10.00 Det=-4.35D-18
 Inversion failed.  Reducing to 14 matrices.
 Large coefficients: NSaved= 14 BigCof=  114.49 CofMax=   10.00 Det=-4.80D-18
 Inversion failed.  Reducing to 13 matrices.
 Large coefficients: NSaved= 13 BigCof=  115.54 CofMax=   10.00 Det=-4.80D-18
 Inversion failed.  Reducing to 12 matrices.
 Large coefficients: NSaved= 12 BigCof=  150.25 CofMax=   10.00 Det=-5.10D-18
 Inversion failed.  Reducing to 11 matrices.
 Large coefficients: NSaved= 11 BigCof=  154.35 CofMax=   10.00 Det=-5.13D-18
 Inversion failed.  Reducing to 10 matrices.
 Large coefficients: NSaved= 10 BigCof=  159.51 CofMax=   10.00 Det=-7.16D-18
 Inversion failed.  Reducing to  9 matrices.
 Large coefficients: NSaved=  9 BigCof=  161.71 CofMax=   10.00 Det=-8.15D-18
 Inversion failed.  Reducing to  8 matrices.
 Large coefficients: NSaved=  8 BigCof=  130.86 CofMax=   10.00 Det=-8.34D-18
 Inversion failed.  Reducing to  7 matrices.
 Large coefficients: NSaved=  7 BigCof=   90.48 CofMax=   10.00 Det=-8.44D-18
 Inversion failed.  Reducing to  6 matrices.
 Large coefficients: NSaved=  6 BigCof=   91.30 CofMax=   10.00 Det=-9.07D-18
 Inversion failed.  Reducing to  5 matrices.
 Large coefficients: NSaved=  5 BigCof=  223.50 CofMax=   10.00 Det=-9.81D-18
 Inversion failed.  Reducing to  4 matrices.
 Large coefficients: NSaved=  4 BigCof=   48.19 CofMax=   10.00 Det=-2.07D-17
 Inversion failed.  Reducing to  3 matrices.
 Large coefficients: NSaved=  3 BigCof=   43.75 CofMax=   10.00 Det=-4.33D-15
 Inversion failed.  Reducing to  2 matrices.
 Coeff-Com: -0.149D+01 0.249D+01
 Coeff:     -0.149D+01 0.249D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.31D-05 MaxDP=8.24D-04 DE= 1.16D-10 OVMax= 4.32D-07

 Cycle  36  Pass 1  IDiag  1:
 RMSU=  1.18D-05    CP:  1.00D+00 -3.00D+00 -1.52D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00  3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
 E= -3573.14851009492     Delta-E=        0.000000001232 Rises=F Damp=F
 DIIS: error= 1.09D-07 at cycle  36 NSaved=   3.
 NSaved= 3 IEnMin= 1 EnMin= -3573.14851009627     IErMin= 3 ErrMin= 1.09D-07
 ErrMax= 1.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-12 BMatP= 1.07D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.368D+01 0.375D+01 0.931D+00
 Coeff:     -0.368D+01 0.375D+01 0.931D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.34D-06 MaxDP=9.69D-05 DE= 1.23D-09 OVMax= 7.13D-08

 Cycle  37  Pass 1  IDiag  1:
 RMSU=  1.37D-06    CP:  1.00D+00 -3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
                    CP:  1.08D+00
 E= -3573.14851009431     Delta-E=        0.000000000607 Rises=F Damp=F
 DIIS: error= 1.01D-07 at cycle  37 NSaved=   4.
 NSaved= 4 IEnMin= 1 EnMin= -3573.14851009627     IErMin= 4 ErrMin= 1.01D-07
 ErrMax= 1.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-12 BMatP= 2.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.353D+01 0.359D+01 0.621D+00 0.312D+00
 Coeff:     -0.353D+01 0.359D+01 0.621D+00 0.312D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.87D-07 MaxDP=2.16D-05 DE= 6.07D-10 OVMax= 1.54D-08

 Cycle  38  Pass 1  IDiag  1:
 RMSU=  3.39D-07    CP:  1.00D+00 -3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
                    CP:  1.09D+00  1.10D+00
 E= -3573.14851009415     Delta-E=        0.000000000165 Rises=F Damp=F
 DIIS: error= 9.58D-08 at cycle  38 NSaved=   5.
 NSaved= 5 IEnMin= 1 EnMin= -3573.14851009627     IErMin= 5 ErrMin= 9.58D-08
 ErrMax= 9.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-12 BMatP= 1.82D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.313D+01 0.320D+01 0.490D+00-0.271D+01 0.315D+01
 Coeff:     -0.313D+01 0.320D+01 0.490D+00-0.271D+01 0.315D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.37D-06 MaxDP=8.83D-05 DE= 1.65D-10 OVMax= 5.04D-08

 Cycle  39  Pass 1  IDiag  1:
 RMSU=  6.24D-07    CP:  1.00D+00 -3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
                    CP:  1.11D+00  1.47D+00  3.00D+00
 E= -3573.14851009322     Delta-E=        0.000000000930 Rises=F Damp=F
 DIIS: error= 8.56D-08 at cycle  39 NSaved=   6.
 NSaved= 6 IEnMin= 1 EnMin= -3573.14851009627     IErMin= 6 ErrMin= 8.56D-08
 ErrMax= 8.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-12 BMatP= 1.71D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.281D+01 0.288D+01 0.462D+00-0.292D+01 0.261D+01 0.779D+00
 Coeff:     -0.281D+01 0.288D+01 0.462D+00-0.292D+01 0.261D+01 0.779D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=7.01D-05 DE= 9.30D-10 OVMax= 3.93D-08

 Cycle  40  Pass 1  IDiag  1:
 RMSU=  4.36D-07    CP:  1.00D+00 -3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -3.00D+00
                    CP: -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00 -4.31D-01
                    CP:  1.12D+00  1.73D+00  3.00D+00  2.19D+00
 E= -3573.14851009340     Delta-E=       -0.000000000182 Rises=F Damp=F
 DIIS: error= 7.73D-08 at cycle  40 NSaved=   7.
 NSaved= 7 IEnMin= 1 EnMin= -3573.14851009627     IErMin= 7 ErrMin= 7.73D-08
 ErrMax= 7.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-12 BMatP= 1.35D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D+01 0.126D+01 0.228D+00-0.183D+01-0.291D+00-0.102D+00
 Coeff-Com:  0.296D+01
 Coeff:     -0.123D+01 0.126D+01 0.228D+00-0.183D+01-0.291D+00-0.102D+00
 Coeff:      0.296D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=5.35D-06 MaxDP=3.53D-04 DE=-1.82D-10 OVMax= 1.99D-07

 Cycle  41  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3573.14851009684     Delta-E=       -0.000000003437 Rises=F Damp=F
 DIIS: error= 4.03D-07 at cycle  41 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3573.14851009684     IErMin= 7 ErrMin= 7.73D-08
 ErrMax= 4.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-11 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D+01 0.135D+01 0.368D+00 0.281D+00-0.177D+01-0.288D+00
 Coeff-Com:  0.246D+01-0.783D-01
 Coeff:     -0.132D+01 0.135D+01 0.368D+00 0.281D+00-0.177D+01-0.288D+00
 Coeff:      0.246D+01-0.783D-01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.08D-06 MaxDP=1.87D-04 DE=-3.44D-09 OVMax= 1.14D-07

 Cycle  42  Pass 1  IDiag  1:
 RMSU=  3.04D-06    CP:  1.00D+00
 E= -3573.14851009626     Delta-E=        0.000000000572 Rises=F Damp=F
 DIIS: error= 3.70D-07 at cycle  42 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -3573.14851009684     IErMin= 7 ErrMin= 7.73D-08
 ErrMax= 3.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-11 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.975D+00 0.993D+00 0.414D+00 0.269D+00-0.215D+01-0.109D+00
 Coeff-Com:  0.260D+01-0.512D+00 0.463D+00
 Coeff:     -0.975D+00 0.993D+00 0.414D+00 0.269D+00-0.215D+01-0.109D+00
 Coeff:      0.260D+01-0.512D+00 0.463D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=8.59D-07 MaxDP=4.75D-05 DE= 5.72D-10 OVMax= 3.01D-08

 Cycle  43  Pass 1  IDiag  1:
 RMSU=  1.81D-07    CP:  1.00D+00  1.27D+00
 E= -3573.14851009695     Delta-E=       -0.000000000685 Rises=F Damp=F
 DIIS: error= 3.61D-07 at cycle  43 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3573.14851009695     IErMin= 7 ErrMin= 7.73D-08
 ErrMax= 3.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-11 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D+00 0.151D+00 0.187D+00-0.502D+00-0.518D+00 0.755D+00
 Coeff-Com:  0.104D+01-0.633D+00-0.536D+01 0.602D+01
 Coeff:     -0.142D+00 0.151D+00 0.187D+00-0.502D+00-0.518D+00 0.755D+00
 Coeff:      0.104D+01-0.633D+00-0.536D+01 0.602D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=7.36D-06 MaxDP=4.44D-04 DE=-6.85D-10 OVMax= 2.64D-07

 Cycle  44  Pass 1  IDiag  1:
 RMSU=  2.03D-06    CP:  1.00D+00  3.00D+00  3.00D+00
 E= -3573.14851009806     Delta-E=       -0.000000001114 Rises=F Damp=F
 DIIS: error= 2.92D-07 at cycle  44 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3573.14851009806     IErMin= 7 ErrMin= 7.73D-08
 ErrMax= 2.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-11 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.891D-01-0.907D-01 0.827D-02-0.907D+00 0.118D+01 0.130D+01
 Coeff-Com: -0.761D+00-0.275D+00-0.527D+01 0.450D+01 0.123D+01
 Coeff:      0.891D-01-0.907D-01 0.827D-02-0.907D+00 0.118D+01 0.130D+01
 Coeff:     -0.761D+00-0.275D+00-0.527D+01 0.450D+01 0.123D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.01D-05 MaxDP=6.33D-04 DE=-1.11D-09 OVMax= 3.65D-07

 Cycle  45  Pass 1  IDiag  1:
 RMSU=  6.04D-06    CP:  1.00D+00  3.00D+00  3.00D+00  3.00D+00
 E= -3573.14851009867     Delta-E=       -0.000000000610 Rises=F Damp=F
 DIIS: error= 1.67D-07 at cycle  45 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3573.14851009867     IErMin= 7 ErrMin= 7.73D-08
 ErrMax= 1.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-12 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.882D-01-0.901D-01 0.108D-01-0.883D+00 0.116D+01 0.129D+01
 Coeff-Com: -0.770D+00-0.263D+00-0.526D+01 0.450D+01 0.119D+01 0.333D-01
 Coeff:      0.882D-01-0.901D-01 0.108D-01-0.883D+00 0.116D+01 0.129D+01
 Coeff:     -0.770D+00-0.263D+00-0.526D+01 0.450D+01 0.119D+01 0.333D-01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.06D-07 MaxDP=1.30D-05 DE=-6.10D-10 OVMax= 7.37D-09

 Cycle  46  Pass 1  IDiag  1:
 RMSU=  2.44D-08    CP:  1.00D+00  3.00D+00  3.00D+00  3.00D+00  1.03D+00
 E= -3573.14851009769     Delta-E=        0.000000000983 Rises=F Damp=F
 DIIS: error= 1.63D-07 at cycle  46 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -3573.14851009867     IErMin= 7 ErrMin= 7.73D-08
 ErrMax= 1.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-12 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.857D-01-0.875D-01 0.111D-01-0.895D+00 0.117D+01 0.129D+01
 Coeff-Com: -0.763D+00-0.272D+00-0.526D+01 0.451D+01 0.118D+01 0.202D+00
 Coeff-Com: -0.172D+00
 Coeff:      0.857D-01-0.875D-01 0.111D-01-0.895D+00 0.117D+01 0.129D+01
 Coeff:     -0.763D+00-0.272D+00-0.526D+01 0.451D+01 0.118D+01 0.202D+00
 Coeff:     -0.172D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.03D-07 MaxDP=6.30D-06 DE= 9.83D-10 OVMax= 3.68D-09

 Cycle  47  Pass 1  IDiag  1:
 RMSU=  4.92D-09    CP:  1.00D+00  3.00D+00  3.00D+00  3.00D+00  1.02D+00
                    CP:  3.40D-01
 E= -3573.14851009829     Delta-E=       -0.000000000600 Rises=F Damp=F
 DIIS: error= 1.64D-07 at cycle  47 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -3573.14851009867     IErMin= 7 ErrMin= 7.73D-08
 ErrMax= 1.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-12 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.858D-01-0.876D-01 0.110D-01-0.895D+00 0.117D+01 0.129D+01
 Coeff-Com: -0.763D+00-0.273D+00-0.526D+01 0.451D+01 0.118D+01 0.199D+00
 Coeff-Com: -0.203D+00 0.345D-01
 Coeff:      0.858D-01-0.876D-01 0.110D-01-0.895D+00 0.117D+01 0.129D+01
 Coeff:     -0.763D+00-0.273D+00-0.526D+01 0.451D+01 0.118D+01 0.199D+00
 Coeff:     -0.203D+00 0.345D-01
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.11D-09 MaxDP=1.21D-07 DE=-6.00D-10 OVMax= 7.24D-11

 SCF Done:  E(RM11) =  -3573.14851010     A.U. after   47 cycles
            NFock= 47  Conv=0.21D-08     -V/T= 2.0027
 KE= 3.563530382615D+03 PE=-1.401873756296D+04 EE= 4.106422573563D+03
 Leave Link  502 at Thu Jul 15 19:44:05 2021, MaxMem= 16106127360 cpu:          116776.6 elap:            7320.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   757
 NBasis=   769 NAE=   103 NBE=   103 NFC=     0 NFV=     0
 NROrb=    757 NOA=   103 NOB=   103 NVA=   654 NVB=   654

 **** Warning!!: The largest alpha MO coefficient is  0.17743637D+03

 Leave Link  801 at Thu Jul 15 19:44:05 2021, MaxMem= 16106127360 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12972 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          42
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.12D-12 8.33D-09 XBig12= 1.00D+00 3.22D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.12D-12 8.33D-09 XBig12= 2.97D-01 6.77D-02.
     11 vectors produced by pass  2 Test12= 1.12D-12 8.33D-09 XBig12= 7.49D-02 5.42D-02.
     11 vectors produced by pass  3 Test12= 1.12D-12 8.33D-09 XBig12= 1.23D-02 1.87D-02.
     11 vectors produced by pass  4 Test12= 1.12D-12 8.33D-09 XBig12= 2.84D-03 9.75D-03.
     11 vectors produced by pass  5 Test12= 1.12D-12 8.33D-09 XBig12= 3.63D-04 5.15D-03.
     11 vectors produced by pass  6 Test12= 1.12D-12 8.33D-09 XBig12= 4.20D-05 1.51D-03.
     11 vectors produced by pass  7 Test12= 1.12D-12 8.33D-09 XBig12= 6.52D-06 5.21D-04.
     11 vectors produced by pass  8 Test12= 1.12D-12 8.33D-09 XBig12= 9.57D-07 1.24D-04.
     11 vectors produced by pass  9 Test12= 1.12D-12 8.33D-09 XBig12= 9.02D-08 2.80D-05.
     11 vectors produced by pass 10 Test12= 1.12D-12 8.33D-09 XBig12= 6.22D-09 7.37D-06.
     11 vectors produced by pass 11 Test12= 1.12D-12 8.33D-09 XBig12= 1.36D-09 2.16D-06.
     10 vectors produced by pass 12 Test12= 1.12D-12 8.33D-09 XBig12= 5.65D-10 1.17D-06.
      8 vectors produced by pass 13 Test12= 1.12D-12 8.33D-09 XBig12= 1.80D-10 8.16D-07.
      8 vectors produced by pass 14 Test12= 1.12D-12 8.33D-09 XBig12= 4.61D-11 4.36D-07.
      8 vectors produced by pass 15 Test12= 1.12D-12 8.33D-09 XBig12= 1.91D-11 1.44D-07.
      6 vectors produced by pass 16 Test12= 1.12D-12 8.33D-09 XBig12= 9.64D-12 1.28D-07.
      6 vectors produced by pass 17 Test12= 1.12D-12 8.33D-09 XBig12= 1.15D-11 1.03D-07.
      6 vectors produced by pass 18 Test12= 1.12D-12 8.33D-09 XBig12= 6.86D-12 8.98D-08.
      6 vectors produced by pass 19 Test12= 1.12D-12 8.33D-09 XBig12= 6.36D-12 9.47D-08.
      5 vectors produced by pass 20 Test12= 1.12D-12 8.33D-09 XBig12= 3.68D-12 5.90D-08.
      5 vectors produced by pass 21 Test12= 1.12D-12 8.33D-09 XBig12= 3.47D-12 6.53D-08.
      5 vectors produced by pass 22 Test12= 1.12D-12 8.33D-09 XBig12= 4.01D-12 6.12D-08.
      5 vectors produced by pass 23 Test12= 1.12D-12 8.33D-09 XBig12= 6.49D-12 9.45D-08.
      5 vectors produced by pass 24 Test12= 1.12D-12 8.33D-09 XBig12= 4.28D-12 8.73D-08.
      5 vectors produced by pass 25 Test12= 1.12D-12 8.33D-09 XBig12= 5.41D-12 7.89D-08.
      5 vectors produced by pass 26 Test12= 1.12D-12 8.33D-09 XBig12= 7.23D-12 8.94D-08.
      5 vectors produced by pass 27 Test12= 1.12D-12 8.33D-09 XBig12= 4.48D-12 5.34D-08.
      5 vectors produced by pass 28 Test12= 1.12D-12 8.33D-09 XBig12= 4.01D-12 5.50D-08.
      5 vectors produced by pass 29 Test12= 1.12D-12 8.33D-09 XBig12= 1.60D-12 3.39D-08.
      5 vectors produced by pass 30 Test12= 1.12D-12 8.33D-09 XBig12= 2.70D-12 4.70D-08.
      5 vectors produced by pass 31 Test12= 1.12D-12 8.33D-09 XBig12= 1.89D-12 4.64D-08.
      5 vectors produced by pass 32 Test12= 1.12D-12 8.33D-09 XBig12= 1.93D-12 3.93D-08.
      5 vectors produced by pass 33 Test12= 1.12D-12 8.33D-09 XBig12= 2.04D-12 6.83D-08.
      4 vectors produced by pass 34 Test12= 1.12D-12 8.33D-09 XBig12= 1.49D-12 5.49D-08.
      4 vectors produced by pass 35 Test12= 1.12D-12 8.33D-09 XBig12= 1.87D-12 4.15D-08.
      4 vectors produced by pass 36 Test12= 1.12D-12 8.33D-09 XBig12= 2.48D-12 5.21D-08.
      4 vectors produced by pass 37 Test12= 1.12D-12 8.33D-09 XBig12= 1.03D-12 2.90D-08.
      4 vectors produced by pass 38 Test12= 1.12D-12 8.33D-09 XBig12= 2.56D-12 4.58D-08.
      3 vectors produced by pass 39 Test12= 1.12D-12 8.33D-09 XBig12= 1.01D-12 3.43D-08.
      3 vectors produced by pass 40 Test12= 1.12D-12 8.33D-09 XBig12= 9.59D-13 3.03D-08.
      3 vectors produced by pass 41 Test12= 1.12D-12 8.33D-09 XBig12= 1.34D-12 4.44D-08.
      3 vectors produced by pass 42 Test12= 1.12D-12 8.33D-09 XBig12= 1.45D-12 5.03D-08.
      3 vectors produced by pass 43 Test12= 1.12D-12 8.33D-09 XBig12= 1.39D-12 3.45D-08.
      3 vectors produced by pass 44 Test12= 1.12D-12 8.33D-09 XBig12= 8.38D-13 2.80D-08.
      3 vectors produced by pass 45 Test12= 1.12D-12 8.33D-09 XBig12= 1.72D-12 5.36D-08.
      3 vectors produced by pass 46 Test12= 1.12D-12 8.33D-09 XBig12= 1.66D-12 3.82D-08.
      3 vectors produced by pass 47 Test12= 1.12D-12 8.33D-09 XBig12= 9.64D-13 3.27D-08.
      3 vectors produced by pass 48 Test12= 1.12D-12 8.33D-09 XBig12= 1.27D-12 3.77D-08.
      3 vectors produced by pass 49 Test12= 1.12D-12 8.33D-09 XBig12= 1.27D-12 5.06D-08.
      3 vectors produced by pass 50 Test12= 1.12D-12 8.33D-09 XBig12= 1.55D-12 4.31D-08.
      3 vectors produced by pass 51 Test12= 1.12D-12 8.33D-09 XBig12= 1.78D-12 4.70D-08.
      3 vectors produced by pass 52 Test12= 1.12D-12 8.33D-09 XBig12= 1.20D-12 3.65D-08.
      3 vectors produced by pass 53 Test12= 1.12D-12 8.33D-09 XBig12= 1.86D-12 4.77D-08.
      3 vectors produced by pass 54 Test12= 1.12D-12 8.33D-09 XBig12= 9.66D-13 2.95D-08.
      3 vectors produced by pass 55 Test12= 1.12D-12 8.33D-09 XBig12= 8.42D-13 2.87D-08.
      3 vectors produced by pass 56 Test12= 1.12D-12 8.33D-09 XBig12= 8.28D-13 2.90D-08.
      3 vectors produced by pass 57 Test12= 1.12D-12 8.33D-09 XBig12= 1.11D-12 3.30D-08.
      3 vectors produced by pass 58 Test12= 1.12D-12 8.33D-09 XBig12= 1.26D-12 3.88D-08.
      3 vectors produced by pass 59 Test12= 1.12D-12 8.33D-09 XBig12= 1.46D-12 4.35D-08.
      3 vectors produced by pass 60 Test12= 1.12D-12 8.33D-09 XBig12= 9.97D-13 3.27D-08.
      3 vectors produced by pass 61 Test12= 1.12D-12 8.33D-09 XBig12= 6.01D-13 2.32D-08.
      3 vectors produced by pass 62 Test12= 1.12D-12 8.33D-09 XBig12= 6.79D-13 3.27D-08.
      3 vectors produced by pass 63 Test12= 1.12D-12 8.33D-09 XBig12= 1.09D-12 3.06D-08.
      3 vectors produced by pass 64 Test12= 1.12D-12 8.33D-09 XBig12= 1.18D-12 3.92D-08.
      3 vectors produced by pass 65 Test12= 1.12D-12 8.33D-09 XBig12= 1.39D-12 5.08D-08.
      3 vectors produced by pass 66 Test12= 1.12D-12 8.33D-09 XBig12= 1.04D-12 3.42D-08.
      3 vectors produced by pass 67 Test12= 1.12D-12 8.33D-09 XBig12= 1.02D-12 3.39D-08.
      3 vectors produced by pass 68 Test12= 1.12D-12 8.33D-09 XBig12= 6.64D-13 3.11D-08.
      3 vectors produced by pass 69 Test12= 1.12D-12 8.33D-09 XBig12= 6.12D-13 3.21D-08.
      3 vectors produced by pass 70 Test12= 1.12D-12 8.33D-09 XBig12= 8.71D-13 3.15D-08.
      3 vectors produced by pass 71 Test12= 1.12D-12 8.33D-09 XBig12= 5.69D-13 2.23D-08.
      3 vectors produced by pass 72 Test12= 1.12D-12 8.33D-09 XBig12= 4.62D-13 1.99D-08.
      3 vectors produced by pass 73 Test12= 1.12D-12 8.33D-09 XBig12= 7.03D-13 3.93D-08.
      3 vectors produced by pass 74 Test12= 1.12D-12 8.33D-09 XBig12= 4.26D-13 1.93D-08.
      3 vectors produced by pass 75 Test12= 1.12D-12 8.33D-09 XBig12= 5.18D-13 1.93D-08.
      3 vectors produced by pass 76 Test12= 1.12D-12 8.33D-09 XBig12= 9.42D-13 3.45D-08.
      3 vectors produced by pass 77 Test12= 1.12D-12 8.33D-09 XBig12= 7.30D-13 2.38D-08.
      3 vectors produced by pass 78 Test12= 1.12D-12 8.33D-09 XBig12= 4.98D-13 2.50D-08.
      3 vectors produced by pass 79 Test12= 1.12D-12 8.33D-09 XBig12= 5.70D-13 2.04D-08.
      3 vectors produced by pass 80 Test12= 1.12D-12 8.33D-09 XBig12= 9.25D-13 3.49D-08.
      3 vectors produced by pass 81 Test12= 1.12D-12 8.33D-09 XBig12= 4.89D-13 2.22D-08.
      3 vectors produced by pass 82 Test12= 1.12D-12 8.33D-09 XBig12= 1.04D-12 3.64D-08.
      3 vectors produced by pass 83 Test12= 1.12D-12 8.33D-09 XBig12= 5.77D-13 2.79D-08.
      3 vectors produced by pass 84 Test12= 1.12D-12 8.33D-09 XBig12= 7.36D-13 2.54D-08.
      3 vectors produced by pass 85 Test12= 1.12D-12 8.33D-09 XBig12= 1.06D-12 3.47D-08.
      3 vectors produced by pass 86 Test12= 1.12D-12 8.33D-09 XBig12= 3.84D-13 1.85D-08.
      3 vectors produced by pass 87 Test12= 1.12D-12 8.33D-09 XBig12= 9.35D-13 2.80D-08.
      3 vectors produced by pass 88 Test12= 1.12D-12 8.33D-09 XBig12= 4.30D-13 2.51D-08.
      3 vectors produced by pass 89 Test12= 1.12D-12 8.33D-09 XBig12= 7.99D-13 2.75D-08.
      3 vectors produced by pass 90 Test12= 1.12D-12 8.33D-09 XBig12= 4.39D-13 1.73D-08.
      3 vectors produced by pass 91 Test12= 1.12D-12 8.33D-09 XBig12= 4.96D-13 2.34D-08.
      3 vectors produced by pass 92 Test12= 1.12D-12 8.33D-09 XBig12= 8.67D-13 2.71D-08.
      3 vectors produced by pass 93 Test12= 1.12D-12 8.33D-09 XBig12= 3.76D-13 1.77D-08.
      3 vectors produced by pass 94 Test12= 1.12D-12 8.33D-09 XBig12= 5.87D-13 2.51D-08.
      3 vectors produced by pass 95 Test12= 1.12D-12 8.33D-09 XBig12= 1.02D-12 3.51D-08.
      3 vectors produced by pass 96 Test12= 1.12D-12 8.33D-09 XBig12= 4.29D-13 2.11D-08.
      3 vectors produced by pass 97 Test12= 1.12D-12 8.33D-09 XBig12= 2.71D-13 1.79D-08.
      3 vectors produced by pass 98 Test12= 1.12D-12 8.33D-09 XBig12= 6.60D-13 2.72D-08.
      3 vectors produced by pass 99 Test12= 1.12D-12 8.33D-09 XBig12= 4.07D-13 2.20D-08.
      3 vectors produced by pass100 Test12= 1.12D-12 8.33D-09 XBig12= 6.50D-13 3.38D-08.
      3 vectors produced by pass101 Test12= 1.12D-12 8.33D-09 XBig12= 6.79D-13 2.49D-08.
      3 vectors produced by pass102 Test12= 1.12D-12 8.33D-09 XBig12= 9.41D-13 3.08D-08.
      3 vectors produced by pass103 Test12= 1.12D-12 8.33D-09 XBig12= 6.19D-13 2.36D-08.
      3 vectors produced by pass104 Test12= 1.12D-12 8.33D-09 XBig12= 5.38D-13 2.41D-08.
      3 vectors produced by pass105 Test12= 1.12D-12 8.33D-09 XBig12= 5.20D-13 2.84D-08.
      3 vectors produced by pass106 Test12= 1.12D-12 8.33D-09 XBig12= 3.36D-13 1.73D-08.
      3 vectors produced by pass107 Test12= 1.12D-12 8.33D-09 XBig12= 3.55D-13 1.88D-08.
      3 vectors produced by pass108 Test12= 1.12D-12 8.33D-09 XBig12= 3.49D-13 1.96D-08.
      3 vectors produced by pass109 Test12= 1.12D-12 8.33D-09 XBig12= 3.44D-13 1.64D-08.
      3 vectors produced by pass110 Test12= 1.12D-12 8.33D-09 XBig12= 5.05D-13 1.93D-08.
      3 vectors produced by pass111 Test12= 1.12D-12 8.33D-09 XBig12= 4.69D-13 2.54D-08.
      3 vectors produced by pass112 Test12= 1.12D-12 8.33D-09 XBig12= 5.69D-13 2.84D-08.
      3 vectors produced by pass113 Test12= 1.12D-12 8.33D-09 XBig12= 8.86D-13 2.69D-08.
      3 vectors produced by pass114 Test12= 1.12D-12 8.33D-09 XBig12= 5.54D-13 2.32D-08.
      3 vectors produced by pass115 Test12= 1.12D-12 8.33D-09 XBig12= 7.14D-13 2.35D-08.
      3 vectors produced by pass116 Test12= 1.12D-12 8.33D-09 XBig12= 3.37D-13 1.79D-08.
      3 vectors produced by pass117 Test12= 1.12D-12 8.33D-09 XBig12= 4.06D-13 1.80D-08.
      3 vectors produced by pass118 Test12= 1.12D-12 8.33D-09 XBig12= 7.88D-13 2.58D-08.
      3 vectors produced by pass119 Test12= 1.12D-12 8.33D-09 XBig12= 4.79D-13 2.40D-08.
      3 vectors produced by pass120 Test12= 1.12D-12 8.33D-09 XBig12= 6.30D-13 2.44D-08.
      3 vectors produced by pass121 Test12= 1.12D-12 8.33D-09 XBig12= 4.18D-13 1.87D-08.
      3 vectors produced by pass122 Test12= 1.12D-12 8.33D-09 XBig12= 2.00D-13 1.46D-08.
      3 vectors produced by pass123 Test12= 1.12D-12 8.33D-09 XBig12= 7.02D-13 3.57D-08.
      3 vectors produced by pass124 Test12= 1.12D-12 8.33D-09 XBig12= 2.45D-13 1.62D-08.
      3 vectors produced by pass125 Test12= 1.12D-12 8.33D-09 XBig12= 3.52D-13 2.21D-08.
      3 vectors produced by pass126 Test12= 1.12D-12 8.33D-09 XBig12= 8.30D-13 3.03D-08.
      3 vectors produced by pass127 Test12= 1.12D-12 8.33D-09 XBig12= 3.22D-13 1.78D-08.
      3 vectors produced by pass128 Test12= 1.12D-12 8.33D-09 XBig12= 2.78D-13 1.89D-08.
      3 vectors produced by pass129 Test12= 1.12D-12 8.33D-09 XBig12= 4.26D-13 1.78D-08.
      3 vectors produced by pass130 Test12= 1.12D-12 8.33D-09 XBig12= 4.38D-13 2.02D-08.
      3 vectors produced by pass131 Test12= 1.12D-12 8.33D-09 XBig12= 2.92D-13 2.16D-08.
      3 vectors produced by pass132 Test12= 1.12D-12 8.33D-09 XBig12= 5.40D-13 2.31D-08.
      3 vectors produced by pass133 Test12= 1.12D-12 8.33D-09 XBig12= 2.73D-13 1.86D-08.
      3 vectors produced by pass134 Test12= 1.12D-12 8.33D-09 XBig12= 3.99D-13 2.03D-08.
      3 vectors produced by pass135 Test12= 1.12D-12 8.33D-09 XBig12= 3.91D-13 2.36D-08.
      3 vectors produced by pass136 Test12= 1.12D-12 8.33D-09 XBig12= 5.84D-13 2.36D-08.
      3 vectors produced by pass137 Test12= 1.12D-12 8.33D-09 XBig12= 4.09D-13 2.47D-08.
      3 vectors produced by pass138 Test12= 1.12D-12 8.33D-09 XBig12= 4.65D-13 2.20D-08.
      3 vectors produced by pass139 Test12= 1.12D-12 8.33D-09 XBig12= 3.87D-13 2.67D-08.
      3 vectors produced by pass140 Test12= 1.12D-12 8.33D-09 XBig12= 3.12D-13 1.70D-08.
      3 vectors produced by pass141 Test12= 1.12D-12 8.33D-09 XBig12= 3.62D-13 1.79D-08.
      3 vectors produced by pass142 Test12= 1.12D-12 8.33D-09 XBig12= 4.28D-13 2.58D-08.
      3 vectors produced by pass143 Test12= 1.12D-12 8.33D-09 XBig12= 2.45D-13 1.47D-08.
      3 vectors produced by pass144 Test12= 1.12D-12 8.33D-09 XBig12= 2.32D-13 1.53D-08.
      3 vectors produced by pass145 Test12= 1.12D-12 8.33D-09 XBig12= 2.55D-13 1.58D-08.
      3 vectors produced by pass146 Test12= 1.12D-12 8.33D-09 XBig12= 2.60D-13 1.52D-08.
      3 vectors produced by pass147 Test12= 1.12D-12 8.33D-09 XBig12= 3.72D-13 2.28D-08.
      3 vectors produced by pass148 Test12= 1.12D-12 8.33D-09 XBig12= 3.34D-13 1.94D-08.
      3 vectors produced by pass149 Test12= 1.12D-12 8.33D-09 XBig12= 5.14D-13 2.17D-08.
      3 vectors produced by pass150 Test12= 1.12D-12 8.33D-09 XBig12= 3.38D-13 3.04D-08.
      3 vectors produced by pass151 Test12= 1.12D-12 8.33D-09 XBig12= 3.94D-13 1.97D-08.
      3 vectors produced by pass152 Test12= 1.12D-12 8.33D-09 XBig12= 6.22D-13 2.41D-08.
      3 vectors produced by pass153 Test12= 1.12D-12 8.33D-09 XBig12= 3.15D-13 1.86D-08.
      3 vectors produced by pass154 Test12= 1.12D-12 8.33D-09 XBig12= 4.79D-13 2.02D-08.
      3 vectors produced by pass155 Test12= 1.12D-12 8.33D-09 XBig12= 4.94D-13 2.82D-08.
      3 vectors produced by pass156 Test12= 1.12D-12 8.33D-09 XBig12= 3.54D-13 2.04D-08.
      3 vectors produced by pass157 Test12= 1.12D-12 8.33D-09 XBig12= 4.30D-13 1.96D-08.
      3 vectors produced by pass158 Test12= 1.12D-12 8.33D-09 XBig12= 6.63D-13 2.92D-08.
      3 vectors produced by pass159 Test12= 1.12D-12 8.33D-09 XBig12= 4.09D-13 1.68D-08.
      3 vectors produced by pass160 Test12= 1.12D-12 8.33D-09 XBig12= 3.96D-13 1.91D-08.
      3 vectors produced by pass161 Test12= 1.12D-12 8.33D-09 XBig12= 4.33D-13 2.25D-08.
      3 vectors produced by pass162 Test12= 1.12D-12 8.33D-09 XBig12= 3.86D-13 1.73D-08.
      3 vectors produced by pass163 Test12= 1.12D-12 8.33D-09 XBig12= 4.41D-13 1.91D-08.
      3 vectors produced by pass164 Test12= 1.12D-12 8.33D-09 XBig12= 5.71D-13 2.27D-08.
      3 vectors produced by pass165 Test12= 1.12D-12 8.33D-09 XBig12= 1.32D-13 1.32D-08.
      3 vectors produced by pass166 Test12= 1.12D-12 8.33D-09 XBig12= 5.08D-13 2.35D-08.
      3 vectors produced by pass167 Test12= 1.12D-12 8.33D-09 XBig12= 2.48D-13 1.52D-08.
      3 vectors produced by pass168 Test12= 1.12D-12 8.33D-09 XBig12= 4.33D-13 1.74D-08.
      3 vectors produced by pass169 Test12= 1.12D-12 8.33D-09 XBig12= 6.44D-13 2.47D-08.
      3 vectors produced by pass170 Test12= 1.12D-12 8.33D-09 XBig12= 6.93D-13 2.60D-08.
      3 vectors produced by pass171 Test12= 1.12D-12 8.33D-09 XBig12= 6.10D-13 2.41D-08.
      3 vectors produced by pass172 Test12= 1.12D-12 8.33D-09 XBig12= 4.75D-13 2.01D-08.
      3 vectors produced by pass173 Test12= 1.12D-12 8.33D-09 XBig12= 4.25D-13 2.06D-08.
      3 vectors produced by pass174 Test12= 1.12D-12 8.33D-09 XBig12= 2.90D-13 1.38D-08.
      3 vectors produced by pass175 Test12= 1.12D-12 8.33D-09 XBig12= 3.29D-13 1.96D-08.
      3 vectors produced by pass176 Test12= 1.12D-12 8.33D-09 XBig12= 4.56D-13 2.22D-08.
      3 vectors produced by pass177 Test12= 1.12D-12 8.33D-09 XBig12= 2.82D-13 1.69D-08.
      3 vectors produced by pass178 Test12= 1.12D-12 8.33D-09 XBig12= 5.38D-13 2.25D-08.
      3 vectors produced by pass179 Test12= 1.12D-12 8.33D-09 XBig12= 3.34D-13 1.73D-08.
      3 vectors produced by pass180 Test12= 1.12D-12 8.33D-09 XBig12= 5.42D-13 2.17D-08.
      3 vectors produced by pass181 Test12= 1.12D-12 8.33D-09 XBig12= 2.49D-13 1.61D-08.
      3 vectors produced by pass182 Test12= 1.12D-12 8.33D-09 XBig12= 4.00D-13 2.36D-08.
      3 vectors produced by pass183 Test12= 1.12D-12 8.33D-09 XBig12= 2.39D-13 1.67D-08.
      3 vectors produced by pass184 Test12= 1.12D-12 8.33D-09 XBig12= 3.22D-13 1.99D-08.
      3 vectors produced by pass185 Test12= 1.12D-12 8.33D-09 XBig12= 5.81D-13 1.98D-08.
      3 vectors produced by pass186 Test12= 1.12D-12 8.33D-09 XBig12= 2.28D-13 1.39D-08.
      3 vectors produced by pass187 Test12= 1.12D-12 8.33D-09 XBig12= 4.79D-13 2.07D-08.
      3 vectors produced by pass188 Test12= 1.12D-12 8.33D-09 XBig12= 2.45D-13 1.54D-08.
      3 vectors produced by pass189 Test12= 1.12D-12 8.33D-09 XBig12= 6.31D-13 2.63D-08.
      3 vectors produced by pass190 Test12= 1.12D-12 8.33D-09 XBig12= 3.75D-13 2.05D-08.
      3 vectors produced by pass191 Test12= 1.12D-12 8.33D-09 XBig12= 3.89D-13 1.79D-08.
      3 vectors produced by pass192 Test12= 1.12D-12 8.33D-09 XBig12= 4.01D-13 2.31D-08.
      3 vectors produced by pass193 Test12= 1.12D-12 8.33D-09 XBig12= 5.83D-13 2.63D-08.
      3 vectors produced by pass194 Test12= 1.12D-12 8.33D-09 XBig12= 4.24D-13 1.78D-08.
      3 vectors produced by pass195 Test12= 1.12D-12 8.33D-09 XBig12= 3.45D-13 2.20D-08.
      3 vectors produced by pass196 Test12= 1.12D-12 8.33D-09 XBig12= 5.62D-13 2.08D-08.
      3 vectors produced by pass197 Test12= 1.12D-12 8.33D-09 XBig12= 3.97D-13 2.04D-08.
      3 vectors produced by pass198 Test12= 1.12D-12 8.33D-09 XBig12= 5.34D-13 2.96D-08.
      3 vectors produced by pass199 Test12= 1.12D-12 8.33D-09 XBig12= 4.60D-13 1.80D-08.
      3 vectors produced by pass200 Test12= 1.12D-12 8.33D-09 XBig12= 5.43D-13 2.16D-08.
      3 vectors produced by pass201 Test12= 1.12D-12 8.33D-09 XBig12= 2.68D-13 1.66D-08.
      3 vectors produced by pass202 Test12= 1.12D-12 8.33D-09 XBig12= 5.54D-13 2.20D-08.
      3 vectors produced by pass203 Test12= 1.12D-12 8.33D-09 XBig12= 2.22D-13 1.29D-08.
      1 vectors produced by pass204 Test12= 1.12D-12 8.33D-09 XBig12= 1.77D-13 1.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.99D-13
 Solved reduced A of dimension   776 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.445656D+03
      2 -0.186549D+02  0.409984D+03
      3  0.452361D+02  0.442691D+02  0.245099D+03
 Isotropic polarizability for W=    0.085645      366.91 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.667736D+03  0.404802D+02 -0.312282D+03
      2   0.230984D+03  0.133294D+02 -0.209686D+02
      3   0.436752D+03 -0.538096D+02  0.333250D+03
      4   0.108568D+03 -0.368481D+03 -0.318881D+03
      5  -0.123005D+03 -0.187796D+03  0.489067D+02
      6  -0.299259D+03  0.103364D+03 -0.173806D+03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.191923D+03 -0.277148D+02  0.140158D+03
      2  -0.114403D+03 -0.697962D+02 -0.559118D+02
      3   0.131794D+03  0.609308D+03 -0.216097D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.131086D+03  0.124333D+03  0.119996D+03
      2  -0.189276D+03 -0.196225D+02 -0.387846D+03
      3   0.680879D+02  0.599465D+03 -0.111463D+03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.110175D+03  0.274115D+02 -0.444776D+02
      2   0.274115D+02 -0.169923D+02 -0.111897D+03
      3  -0.444776D+02 -0.111897D+03  0.331978D+02
 OR G Eigenvalues:  -123.5092  -104.2672   133.8067  Iso=    31.3232
 Eigenvectors:
   (1)   0.917837   0.149922   0.367558
   (2)  -0.338087   0.780461   0.525906
   (3)  -0.208020  -0.606963   0.767023
 w=    0.085645 a.u., Optical Rotation Beta=     31.3232 au.
 Molar Mass =    407.3085 grams/mole, [Alpha] ( 5320.0 A) =     3647.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  296065 ScalPx= 9.05D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  296065 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.24D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.87D-13 2.78D-09 XBig12= 1.00D+00 2.84D-01.
     30 vectors produced by pass  1 Test12= 1.87D-13 2.78D-09 XBig12= 2.86D-02 2.98D-02.
     30 vectors produced by pass  2 Test12= 1.87D-13 2.78D-09 XBig12= 3.62D-03 8.08D-03.
     30 vectors produced by pass  3 Test12= 1.87D-13 2.78D-09 XBig12= 1.35D-04 1.58D-03.
     30 vectors produced by pass  4 Test12= 1.87D-13 2.78D-09 XBig12= 7.32D-06 3.71D-04.
     30 vectors produced by pass  5 Test12= 1.87D-13 2.78D-09 XBig12= 5.00D-07 8.97D-05.
     30 vectors produced by pass  6 Test12= 1.87D-13 2.78D-09 XBig12= 1.51D-08 1.19D-05.
     30 vectors produced by pass  7 Test12= 1.87D-13 2.78D-09 XBig12= 6.42D-10 1.93D-06.
     30 vectors produced by pass  8 Test12= 1.87D-13 2.78D-09 XBig12= 1.81D-10 5.91D-07.
     30 vectors produced by pass  9 Test12= 1.87D-13 2.78D-09 XBig12= 5.69D-11 2.62D-07.
     19 vectors produced by pass 10 Test12= 1.87D-13 2.78D-09 XBig12= 2.57D-11 2.37D-07.
      9 vectors produced by pass 11 Test12= 1.87D-13 2.78D-09 XBig12= 6.48D-12 9.25D-08.
      7 vectors produced by pass 12 Test12= 1.87D-13 2.78D-09 XBig12= 1.26D-11 1.52D-07.
      4 vectors produced by pass 13 Test12= 1.87D-13 2.78D-09 XBig12= 4.20D-12 6.89D-08.
      4 vectors produced by pass 14 Test12= 1.87D-13 2.78D-09 XBig12= 4.15D-12 7.23D-08.
      3 vectors produced by pass 15 Test12= 1.87D-13 2.78D-09 XBig12= 2.43D-12 6.17D-08.
      3 vectors produced by pass 16 Test12= 1.87D-13 2.78D-09 XBig12= 1.24D-12 4.65D-08.
      3 vectors produced by pass 17 Test12= 1.87D-13 2.78D-09 XBig12= 1.94D-12 6.64D-08.
      2 vectors produced by pass 18 Test12= 1.87D-13 2.78D-09 XBig12= 1.50D-12 5.83D-08.
      1 vectors produced by pass 19 Test12= 1.87D-13 2.78D-09 XBig12= 6.73D-13 3.38D-08.
      1 vectors produced by pass 20 Test12= 1.87D-13 2.78D-09 XBig12= 4.29D-13 2.59D-08.
      1 vectors produced by pass 21 Test12= 1.87D-13 2.78D-09 XBig12= 2.96D-13 2.11D-08.
      1 vectors produced by pass 22 Test12= 1.87D-13 2.78D-09 XBig12= 2.39D-13 1.94D-08.
      1 vectors produced by pass 23 Test12= 1.87D-13 2.78D-09 XBig12= 2.13D-13 1.76D-08.
      1 vectors produced by pass 24 Test12= 1.87D-13 2.78D-09 XBig12= 1.51D-13 1.56D-08.
      1 vectors produced by pass 25 Test12= 1.87D-13 2.78D-09 XBig12= 1.01D-13 1.04D-08.
      1 vectors produced by pass 26 Test12= 1.87D-13 2.78D-09 XBig12= 1.46D-13 1.66D-08.
      1 vectors produced by pass 27 Test12= 1.87D-13 2.78D-09 XBig12= 1.79D-13 2.10D-08.
      1 vectors produced by pass 28 Test12= 1.87D-13 2.78D-09 XBig12= 2.00D-13 1.58D-08.
      1 vectors produced by pass 29 Test12= 1.87D-13 2.78D-09 XBig12= 2.29D-13 2.02D-08.
      1 vectors produced by pass 30 Test12= 1.87D-13 2.78D-09 XBig12= 2.20D-13 1.83D-08.
      1 vectors produced by pass 31 Test12= 1.87D-13 2.78D-09 XBig12= 2.30D-13 1.84D-08.
      1 vectors produced by pass 32 Test12= 1.87D-13 2.78D-09 XBig12= 1.77D-13 1.46D-08.
      1 vectors produced by pass 33 Test12= 1.87D-13 2.78D-09 XBig12= 1.81D-13 1.75D-08.
      1 vectors produced by pass 34 Test12= 1.87D-13 2.78D-09 XBig12= 1.28D-13 1.36D-08.
      1 vectors produced by pass 35 Test12= 1.87D-13 2.78D-09 XBig12= 1.68D-13 1.46D-08.
      1 vectors produced by pass 36 Test12= 1.87D-13 2.78D-09 XBig12= 1.74D-13 1.31D-08.
      1 vectors produced by pass 37 Test12= 1.87D-13 2.78D-09 XBig12= 1.92D-13 1.85D-08.
      1 vectors produced by pass 38 Test12= 1.87D-13 2.78D-09 XBig12= 1.25D-13 1.29D-08.
      1 vectors produced by pass 39 Test12= 1.87D-13 2.78D-09 XBig12= 1.71D-13 1.51D-08.
      1 vectors produced by pass 40 Test12= 1.87D-13 2.78D-09 XBig12= 1.93D-13 1.51D-08.
      1 vectors produced by pass 41 Test12= 1.87D-13 2.78D-09 XBig12= 1.63D-13 1.38D-08.
      1 vectors produced by pass 42 Test12= 1.87D-13 2.78D-09 XBig12= 1.35D-13 1.34D-08.
      1 vectors produced by pass 43 Test12= 1.87D-13 2.78D-09 XBig12= 1.06D-13 1.24D-08.
      1 vectors produced by pass 44 Test12= 1.87D-13 2.78D-09 XBig12= 8.61D-14 1.35D-08.
      1 vectors produced by pass 45 Test12= 1.87D-13 2.78D-09 XBig12= 6.65D-14 1.05D-08.
      1 vectors produced by pass 46 Test12= 1.87D-13 2.78D-09 XBig12= 7.76D-14 1.16D-08.
      1 vectors produced by pass 47 Test12= 1.87D-13 2.78D-09 XBig12= 8.87D-14 1.11D-08.
      1 vectors produced by pass 48 Test12= 1.87D-13 2.78D-09 XBig12= 8.05D-14 9.85D-09.
      1 vectors produced by pass 49 Test12= 1.87D-13 2.78D-09 XBig12= 7.66D-14 9.43D-09.
      1 vectors produced by pass 50 Test12= 1.87D-13 2.78D-09 XBig12= 5.63D-14 8.67D-09.
      1 vectors produced by pass 51 Test12= 1.87D-13 2.78D-09 XBig12= 8.02D-14 1.03D-08.
      1 vectors produced by pass 52 Test12= 1.87D-13 2.78D-09 XBig12= 7.24D-14 1.32D-08.
      1 vectors produced by pass 53 Test12= 1.87D-13 2.78D-09 XBig12= 1.01D-13 1.23D-08.
      1 vectors produced by pass 54 Test12= 1.87D-13 2.78D-09 XBig12= 7.69D-14 9.60D-09.
      1 vectors produced by pass 55 Test12= 1.87D-13 2.78D-09 XBig12= 9.14D-14 1.45D-08.
      1 vectors produced by pass 56 Test12= 1.87D-13 2.78D-09 XBig12= 5.97D-14 1.10D-08.
      1 vectors produced by pass 57 Test12= 1.87D-13 2.78D-09 XBig12= 6.38D-14 1.01D-08.
      1 vectors produced by pass 58 Test12= 1.87D-13 2.78D-09 XBig12= 6.33D-14 9.70D-09.
      1 vectors produced by pass 59 Test12= 1.87D-13 2.78D-09 XBig12= 5.14D-14 7.47D-09.
      1 vectors produced by pass 60 Test12= 1.87D-13 2.78D-09 XBig12= 4.90D-14 7.50D-09.
      1 vectors produced by pass 61 Test12= 1.87D-13 2.78D-09 XBig12= 5.84D-14 9.56D-09.
      1 vectors produced by pass 62 Test12= 1.87D-13 2.78D-09 XBig12= 4.09D-14 7.09D-09.
      1 vectors produced by pass 63 Test12= 1.87D-13 2.78D-09 XBig12= 3.93D-14 7.51D-09.
      1 vectors produced by pass 64 Test12= 1.87D-13 2.78D-09 XBig12= 4.88D-14 7.00D-09.
      1 vectors produced by pass 65 Test12= 1.87D-13 2.78D-09 XBig12= 5.03D-14 9.09D-09.
      1 vectors produced by pass 66 Test12= 1.87D-13 2.78D-09 XBig12= 3.95D-14 7.26D-09.
      1 vectors produced by pass 67 Test12= 1.87D-13 2.78D-09 XBig12= 4.07D-14 7.65D-09.
      1 vectors produced by pass 68 Test12= 1.87D-13 2.78D-09 XBig12= 4.65D-14 7.00D-09.
      1 vectors produced by pass 69 Test12= 1.87D-13 2.78D-09 XBig12= 4.62D-14 7.63D-09.
      1 vectors produced by pass 70 Test12= 1.87D-13 2.78D-09 XBig12= 4.23D-14 8.17D-09.
      1 vectors produced by pass 71 Test12= 1.87D-13 2.78D-09 XBig12= 4.18D-14 8.13D-09.
      1 vectors produced by pass 72 Test12= 1.87D-13 2.78D-09 XBig12= 4.69D-14 8.28D-09.
      1 vectors produced by pass 73 Test12= 1.87D-13 2.78D-09 XBig12= 5.45D-14 9.80D-09.
      1 vectors produced by pass 74 Test12= 1.87D-13 2.78D-09 XBig12= 4.16D-14 8.30D-09.
      1 vectors produced by pass 75 Test12= 1.87D-13 2.78D-09 XBig12= 4.31D-14 7.49D-09.
      1 vectors produced by pass 76 Test12= 1.87D-13 2.78D-09 XBig12= 3.74D-14 8.05D-09.
      1 vectors produced by pass 77 Test12= 1.87D-13 2.78D-09 XBig12= 3.50D-14 7.07D-09.
      1 vectors produced by pass 78 Test12= 1.87D-13 2.78D-09 XBig12= 2.24D-14 6.32D-09.
      1 vectors produced by pass 79 Test12= 1.87D-13 2.78D-09 XBig12= 2.94D-14 5.83D-09.
      1 vectors produced by pass 80 Test12= 1.87D-13 2.78D-09 XBig12= 2.90D-14 6.86D-09.
      1 vectors produced by pass 81 Test12= 1.87D-13 2.78D-09 XBig12= 2.64D-14 6.24D-09.
      1 vectors produced by pass 82 Test12= 1.87D-13 2.78D-09 XBig12= 2.31D-14 5.64D-09.
      1 vectors produced by pass 83 Test12= 1.87D-13 2.78D-09 XBig12= 2.22D-14 4.71D-09.
      1 vectors produced by pass 84 Test12= 1.87D-13 2.78D-09 XBig12= 2.50D-14 6.79D-09.
      1 vectors produced by pass 85 Test12= 1.87D-13 2.78D-09 XBig12= 2.62D-14 6.14D-09.
      1 vectors produced by pass 86 Test12= 1.87D-13 2.78D-09 XBig12= 2.45D-14 6.29D-09.
      1 vectors produced by pass 87 Test12= 1.87D-13 2.78D-09 XBig12= 3.03D-14 6.38D-09.
      1 vectors produced by pass 88 Test12= 1.87D-13 2.78D-09 XBig12= 3.04D-14 6.45D-09.
      1 vectors produced by pass 89 Test12= 1.87D-13 2.78D-09 XBig12= 2.75D-14 6.01D-09.
      1 vectors produced by pass 90 Test12= 1.87D-13 2.78D-09 XBig12= 2.63D-14 6.43D-09.
      1 vectors produced by pass 91 Test12= 1.87D-13 2.78D-09 XBig12= 2.20D-14 6.09D-09.
      1 vectors produced by pass 92 Test12= 1.87D-13 2.78D-09 XBig12= 2.58D-14 5.76D-09.
      1 vectors produced by pass 93 Test12= 1.87D-13 2.78D-09 XBig12= 2.52D-14 6.90D-09.
      1 vectors produced by pass 94 Test12= 1.87D-13 2.78D-09 XBig12= 2.50D-14 6.55D-09.
      1 vectors produced by pass 95 Test12= 1.87D-13 2.78D-09 XBig12= 2.75D-14 5.91D-09.
      1 vectors produced by pass 96 Test12= 1.87D-13 2.78D-09 XBig12= 2.17D-14 5.04D-09.
      1 vectors produced by pass 97 Test12= 1.87D-13 2.78D-09 XBig12= 2.29D-14 5.96D-09.
      1 vectors produced by pass 98 Test12= 1.87D-13 2.78D-09 XBig12= 2.37D-14 5.11D-09.
      1 vectors produced by pass 99 Test12= 1.87D-13 2.78D-09 XBig12= 2.63D-14 6.76D-09.
      1 vectors produced by pass100 Test12= 1.87D-13 2.78D-09 XBig12= 2.23D-14 6.67D-09.
      1 vectors produced by pass101 Test12= 1.87D-13 2.78D-09 XBig12= 2.43D-14 7.25D-09.
      1 vectors produced by pass102 Test12= 1.87D-13 2.78D-09 XBig12= 2.54D-14 6.34D-09.
      1 vectors produced by pass103 Test12= 1.87D-13 2.78D-09 XBig12= 1.65D-14 4.56D-09.
      1 vectors produced by pass104 Test12= 1.87D-13 2.78D-09 XBig12= 1.30D-14 4.87D-09.
      1 vectors produced by pass105 Test12= 1.87D-13 2.78D-09 XBig12= 1.28D-14 4.10D-09.
      1 vectors produced by pass106 Test12= 1.87D-13 2.78D-09 XBig12= 1.02D-14 3.49D-09.
      1 vectors produced by pass107 Test12= 1.87D-13 2.78D-09 XBig12= 9.86D-15 4.67D-09.
      1 vectors produced by pass108 Test12= 1.87D-13 2.78D-09 XBig12= 1.06D-14 4.49D-09.
      1 vectors produced by pass109 Test12= 1.87D-13 2.78D-09 XBig12= 9.70D-15 3.30D-09.
      1 vectors produced by pass110 Test12= 1.87D-13 2.78D-09 XBig12= 1.54D-14 5.66D-09.
      1 vectors produced by pass111 Test12= 1.87D-13 2.78D-09 XBig12= 1.61D-14 4.91D-09.
      1 vectors produced by pass112 Test12= 1.87D-13 2.78D-09 XBig12= 1.33D-14 5.63D-09.
      1 vectors produced by pass113 Test12= 1.87D-13 2.78D-09 XBig12= 1.14D-14 3.38D-09.
      1 vectors produced by pass114 Test12= 1.87D-13 2.78D-09 XBig12= 1.18D-14 5.23D-09.
      1 vectors produced by pass115 Test12= 1.87D-13 2.78D-09 XBig12= 1.00D-14 3.57D-09.
      1 vectors produced by pass116 Test12= 1.87D-13 2.78D-09 XBig12= 1.16D-14 4.59D-09.
      1 vectors produced by pass117 Test12= 1.87D-13 2.78D-09 XBig12= 9.07D-15 3.60D-09.
      1 vectors produced by pass118 Test12= 1.87D-13 2.78D-09 XBig12= 1.14D-14 3.99D-09.
      1 vectors produced by pass119 Test12= 1.87D-13 2.78D-09 XBig12= 9.06D-15 3.64D-09.
      1 vectors produced by pass120 Test12= 1.87D-13 2.78D-09 XBig12= 1.30D-14 3.88D-09.
      1 vectors produced by pass121 Test12= 1.87D-13 2.78D-09 XBig12= 1.01D-14 3.73D-09.
      1 vectors produced by pass122 Test12= 1.87D-13 2.78D-09 XBig12= 1.17D-14 3.96D-09.
      1 vectors produced by pass123 Test12= 1.87D-13 2.78D-09 XBig12= 8.76D-15 3.66D-09.
      1 vectors produced by pass124 Test12= 1.87D-13 2.78D-09 XBig12= 8.30D-15 4.12D-09.
      1 vectors produced by pass125 Test12= 1.87D-13 2.78D-09 XBig12= 9.33D-15 4.02D-09.
      1 vectors produced by pass126 Test12= 1.87D-13 2.78D-09 XBig12= 7.44D-15 3.42D-09.
      1 vectors produced by pass127 Test12= 1.87D-13 2.78D-09 XBig12= 1.19D-14 4.36D-09.
      1 vectors produced by pass128 Test12= 1.87D-13 2.78D-09 XBig12= 1.03D-14 3.61D-09.
      1 vectors produced by pass129 Test12= 1.87D-13 2.78D-09 XBig12= 1.08D-14 4.46D-09.
      1 vectors produced by pass130 Test12= 1.87D-13 2.78D-09 XBig12= 9.86D-15 3.21D-09.
      1 vectors produced by pass131 Test12= 1.87D-13 2.78D-09 XBig12= 1.10D-14 3.73D-09.
      1 vectors produced by pass132 Test12= 1.87D-13 2.78D-09 XBig12= 1.00D-14 3.41D-09.
      1 vectors produced by pass133 Test12= 1.87D-13 2.78D-09 XBig12= 7.90D-15 4.17D-09.
      1 vectors produced by pass134 Test12= 1.87D-13 2.78D-09 XBig12= 5.68D-15 2.81D-09.
      1 vectors produced by pass135 Test12= 1.87D-13 2.78D-09 XBig12= 7.06D-15 3.29D-09.
      1 vectors produced by pass136 Test12= 1.87D-13 2.78D-09 XBig12= 6.50D-15 3.29D-09.
      1 vectors produced by pass137 Test12= 1.87D-13 2.78D-09 XBig12= 8.09D-15 3.23D-09.
      1 vectors produced by pass138 Test12= 1.87D-13 2.78D-09 XBig12= 8.71D-15 3.44D-09.
      1 vectors produced by pass139 Test12= 1.87D-13 2.78D-09 XBig12= 7.13D-15 3.77D-09.
      1 vectors produced by pass140 Test12= 1.87D-13 2.78D-09 XBig12= 7.12D-15 3.47D-09.
      1 vectors produced by pass141 Test12= 1.87D-13 2.78D-09 XBig12= 7.27D-15 3.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.11D-15
 Solved reduced A of dimension   477 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  296065 ScalPx= 2.61D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  296065 ScalPx= 2.61D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  296065 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.57D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.445656D+03 -0.186549D+02  0.452361D+02
      2  -0.186549D+02  0.409984D+03  0.442691D+02
      3   0.452361D+02  0.442691D+02  0.245099D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.191923D+03 -0.277148D+02  0.140158D+03
      2  -0.114403D+03 -0.697962D+02 -0.559118D+02
      3   0.131794D+03  0.609308D+03 -0.216097D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.667736D+03  0.404802D+02 -0.312282D+03
      2   0.230984D+03  0.133294D+02 -0.209686D+02
      3   0.436752D+03 -0.538096D+02  0.333250D+03
      4   0.108568D+03 -0.368481D+03 -0.318881D+03
      5  -0.123005D+03 -0.187796D+03  0.489067D+02
      6  -0.299259D+03  0.103364D+03 -0.173806D+03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.126968D+01  0.158737D+01 -0.882934D-01  0.692713D+00 -0.107912D+01
      2   0.158737D+01 -0.214719D+01  0.429327D+00 -0.107912D+01  0.206253D+01
      3  -0.882934D-01  0.429327D+00 -0.925737D+00 -0.467022D+00  0.201813D+00
                 6             7             8             9            10 
      1  -0.467022D+00 -0.147803D+00 -0.660394D-01 -0.575988D+00 -0.417934D+01
      2   0.201813D+00 -0.660394D-01  0.276441D-01  0.830444D+00 -0.180476D+00
      3   0.109256D+01 -0.575988D+00  0.830444D+00  0.273264D+00 -0.219544D+01
                11            12            13            14            15 
      1  -0.180476D+00 -0.219544D+01 -0.195947D+01 -0.570311D+00 -0.135334D+01
      2  -0.705390D+00 -0.179060D+01 -0.570311D+00  0.254882D+01 -0.212169D+01
      3  -0.179060D+01 -0.745207D+01 -0.135334D+01 -0.212169D+01 -0.162862D+01
                16            17            18            19            20 
      1  -0.302061D+01 -0.365837D+00 -0.529982D+01  0.514679D+01 -0.535095D+00
      2  -0.365837D+00 -0.405849D+01  0.515349D+00 -0.535095D+00  0.323239D+01
      3  -0.529982D+01  0.515349D+00 -0.698917D+01  0.277760D+01  0.194641D+00
                21            22            23            24            25 
      1   0.277760D+01  0.247523D+01  0.187056D+01  0.181722D+01  0.340824D+01
      2   0.194641D+00  0.187056D+01  0.865904D+00  0.135633D-01 -0.118571D+01
      3   0.289333D+00  0.181722D+01  0.135633D-01  0.139706D+00  0.364172D+01
                26            27            28            29            30 
      1  -0.118571D+01  0.364172D+01  0.793808D+00  0.317379D+00  0.143733D+01
      2   0.535325D+00 -0.150502D+01  0.317379D+00  0.324922D-01  0.114674D+00
      3  -0.150502D+01  0.103389D+02  0.143733D+01  0.114674D+00  0.177390D+01
                31            32            33            34            35 
      1   0.258703D+00  0.851526D+00  0.114326D+01  0.133273D+01  0.112972D+01
      2   0.851526D+00  0.224113D+01  0.319333D+01  0.112972D+01  0.213346D+01
      3   0.114326D+01  0.319333D+01  0.551172D+01  0.187546D+01  0.310583D+01
                36            37            38            39            40 
      1   0.187546D+01  0.435541D+01  0.130329D+01  0.124865D+01  0.733697D+01
      2   0.310583D+01  0.130329D+01  0.206874D+01  0.108234D+01 -0.119021D+01
      3   0.632640D+01  0.124865D+01  0.108234D+01  0.238417D+01  0.213529D+01
                41            42            43            44            45 
      1  -0.119021D+01  0.213529D+01  0.388311D+01 -0.318504D+01  0.468647D+01
      2   0.214422D+01 -0.269791D+00 -0.318504D+01  0.357834D+01 -0.283070D+01
      3  -0.269791D+00 -0.111394D+01  0.468647D+01 -0.283070D+01  0.916768D+01
                46            47            48            49            50 
      1   0.787109D+01 -0.137227D+01  0.601459D+01 -0.826743D+00  0.908818D+00
      2  -0.137227D+01  0.628981D+00 -0.126954D+01  0.908818D+00 -0.319481D+00
      3   0.601459D+01 -0.126954D+01  0.559299D+01  0.750161D-01  0.744002D+00
                51            52            53            54            55 
      1   0.750161D-01  0.557136D+01 -0.282639D+00  0.487504D+01 -0.856768D+00
      2   0.744002D+00 -0.282639D+00  0.384686D+00 -0.344170D+00  0.133416D+01
      3   0.892304D+00  0.487504D+01 -0.344170D+00  0.496946D+01 -0.340709D+01
                56            57            58            59            60 
      1   0.133416D+01 -0.340709D+01 -0.475002D+01  0.733165D+00 -0.501240D+01
      2  -0.134535D+01  0.169390D+01  0.733165D+00 -0.391691D+01  0.343459D+01
      3   0.169390D+01 -0.168013D+01 -0.501240D+01  0.343459D+01 -0.624545D+01
                61            62            63            64            65 
      1  -0.956830D+01  0.108367D+01 -0.512717D+01  0.521728D+01 -0.437139D+01
      2   0.108367D+01  0.765849D+00  0.103510D+00 -0.437139D+01  0.431309D+01
      3  -0.512717D+01  0.103510D+00 -0.547806D+01  0.105432D+01 -0.109778D+01
                66            67            68            69            70 
      1   0.105432D+01 -0.458933D+01  0.452282D+01 -0.423237D+00  0.422534D+00
      2  -0.109778D+01  0.452282D+01 -0.542719D+01  0.624846D+00  0.509804D-01
      3   0.684941D+00 -0.423237D+00  0.624846D+00 -0.470236D+00  0.528113D+00
                71            72            73            74            75 
      1   0.509804D-01  0.528113D+00  0.124015D+02 -0.309548D+01  0.109112D+02
      2  -0.718294D+00 -0.621431D+00 -0.309548D+01  0.155758D+01 -0.102615D+01
      3  -0.621431D+00  0.721667D-01  0.109112D+02 -0.102615D+01  0.101313D+02
                76            77            78            79            80 
      1  -0.167513D+02  0.282113D+01 -0.176224D+02 -0.196361D+01 -0.696323D-01
      2   0.282113D+01 -0.705034D+01 -0.998325D+00 -0.696323D-01 -0.885223D+00
      3  -0.176224D+02 -0.998325D+00 -0.203667D+02 -0.215502D+01 -0.267551D+01
                81            82            83            84            85 
      1  -0.215502D+01  0.170896D+02 -0.899030D+01  0.883683D+01  0.767275D+01
      2  -0.267551D+01 -0.899030D+01  0.154309D+02 -0.718328D+00 -0.173869D+01
      3  -0.500598D+01  0.883683D+01 -0.718328D+00  0.116449D+02  0.572124D+01
                86            87            88            89            90 
      1  -0.173869D+01  0.572124D+01  0.105276D+02 -0.551943D+01  0.123705D+02
      2  -0.623427D+00  0.251613D+01 -0.551943D+01  0.146267D+02 -0.380779D+01
      3   0.251613D+01  0.643408D+01  0.123705D+02 -0.380779D+01  0.134784D+02
                91            92            93            94            95 
      1  -0.220374D+02  0.450821D+01 -0.180947D+02  0.980880D+01  0.245611D+00
      2   0.450821D+01 -0.534170D+01  0.109780D+01  0.245611D+00  0.429305D+01
      3  -0.180947D+02  0.109780D+01 -0.177554D+02  0.121922D+02  0.144816D+01
                96            97            98            99           100 
      1   0.121922D+02 -0.447979D+01  0.302638D+01 -0.345561D+01  0.110641D+02
      2   0.144816D+01  0.302638D+01 -0.119820D+01  0.300474D+01  0.220854D+01
      3   0.144242D+02 -0.345561D+01  0.300474D+01 -0.265303D+01  0.955927D+01
               101           102           103           104           105 
      1   0.220854D+01  0.955927D+01  0.256504D+02 -0.214141D+02  0.145792D+02
      2  -0.450680D+01 -0.159541D+00 -0.214141D+02  0.378900D+02 -0.838189D+01
      3  -0.159541D+00  0.858261D+01  0.145792D+02 -0.838189D+01  0.935879D+01
               106           107           108           109           110 
      1   0.186965D+02 -0.966009D+01  0.132544D+02 -0.764520D+01 -0.471786D+01
      2  -0.966009D+01  0.151625D+02 -0.342940D+01 -0.471786D+01  0.717913D+01
      3   0.132544D+02 -0.342940D+01  0.113634D+02 -0.804536D+01  0.785483D+00
               111           112           113           114           115 
      1  -0.804536D+01 -0.284758D+02  0.249993D+02 -0.171720D+02 -0.153416D+02
      2   0.785483D+00  0.249993D+02 -0.433335D+02  0.106410D+02  0.873252D+01
      3  -0.523620D+01 -0.171720D+02  0.106410D+02 -0.109055D+02 -0.113995D+02
               116           117           118           119           120 
      1   0.873252D+01 -0.113995D+02 -0.215431D+02  0.174527D+02 -0.111078D+02
      2  -0.123825D+02  0.253259D+01  0.174527D+02 -0.294328D+02  0.741994D+01
      3   0.253259D+01 -0.973128D+01 -0.111078D+02  0.741994D+01 -0.866392D+01
               121           122           123           124           125 
      1   0.620462D+01 -0.118749D+02  0.389308D+01 -0.914267D+01  0.844642D+01
      2  -0.118749D+02  0.136398D+02 -0.394040D+01  0.844642D+01 -0.101653D+02
      3   0.389308D+01 -0.394040D+01  0.297456D+01 -0.620745D+01  0.165747D+01
               126           127           128           129           130 
      1  -0.620745D+01  0.192723D+02 -0.995721D+01  0.630740D+01  0.121545D+00
      2   0.165747D+01 -0.995721D+01  0.633915D+02 -0.467226D+01  0.145669D+02
      3  -0.112003D+02  0.630740D+01 -0.467226D+01  0.212233D+01 -0.667277D+00
               131           132           133           134           135 
      1   0.145669D+02 -0.667277D+00  0.580382D+01  0.108247D+01  0.160986D+01
      2   0.174479D+02  0.442358D+01  0.108247D+01  0.233506D+02 -0.118985D+00
      3   0.442358D+01 -0.361458D-01  0.160986D+01 -0.118985D+00  0.519326D+00
               136           137           138           139           140 
      1  -0.194161D+02  0.715695D+01 -0.564638D+01 -0.675409D+00 -0.819068D+01
      2   0.715695D+01 -0.630907D+02  0.533951D+01 -0.819068D+01 -0.140709D+02
      3  -0.564638D+01  0.533951D+01 -0.113392D+01 -0.930461D+00 -0.199927D+01
               141           142           143           144           145 
      1  -0.930461D+00 -0.458406D+01  0.154416D+01 -0.430175D+01 -0.105156D+02
      2  -0.199927D+01  0.154416D+01 -0.220492D+02  0.111265D+01  0.321220D+00
      3  -0.625377D+00 -0.430175D+01  0.111265D+01 -0.209806D+01 -0.415172D+01
               146           147           148           149           150 
      1   0.321220D+00 -0.415172D+01  0.104328D+02  0.285345D+00  0.874680D+01
      2  -0.112177D+02  0.702394D-01  0.285345D+00  0.344297D+02 -0.150969D+01
      3   0.702394D-01 -0.492163D+01  0.874680D+01 -0.150969D+01  0.718103D+01
               151           152           153           154           155 
      1   0.274919D+01  0.210389D+01 -0.296392D+01  0.167986D+02 -0.400419D+01
      2   0.210389D+01  0.536518D+01  0.299128D+00 -0.400419D+01  0.134930D+02
      3  -0.296392D+01  0.299128D+00 -0.432825D+01  0.123225D+02 -0.191864D+01
               156           157           158           159           160 
      1   0.123225D+02 -0.122469D+02 -0.991243D+00 -0.537974D+01  0.437286D+01
      2  -0.191864D+01 -0.991243D+00 -0.196404D+02  0.262184D+01  0.844313D-01
      3   0.997032D+01 -0.537974D+01  0.262184D+01 -0.448909D+01  0.313556D+01
               161           162           163           164           165 
      1   0.844313D-01  0.313556D+01  0.354779D+02  0.183626D+02 -0.163766D+01
      2   0.243391D+01 -0.478347D+01  0.183626D+02  0.281513D+02  0.820243D-02
      3  -0.478347D+01 -0.669780D+00 -0.163766D+01  0.820243D-02  0.787304D+00
               166           167           168           169           170 
      1  -0.153795D+02 -0.147710D+02 -0.540620D+00 -0.418614D+01 -0.462422D+01
      2  -0.147710D+02 -0.474220D+02 -0.257116D+01 -0.462422D+01 -0.135843D+02
      3  -0.540620D+00 -0.257116D+01 -0.263214D+00  0.642069D+00 -0.135040D+01
               171           172           173           174           175 
      1   0.642069D+00 -0.315027D+02 -0.167471D+02  0.138957D+01  0.207962D+02
      2  -0.135040D+01 -0.167471D+02 -0.257180D+02  0.662286D+00  0.201734D+02
      3  -0.216255D+00  0.138957D+01  0.662286D+00  0.725648D+00 -0.158412D+00
               176           177           178           179           180 
      1   0.201734D+02 -0.158412D+00  0.403209D+01  0.433401D+01 -0.180294D+01
      2   0.564626D+02  0.205244D+01  0.433401D+01  0.121672D+02  0.230261D+01
      3   0.205244D+01  0.244821D+00 -0.180294D+01  0.230261D+01  0.987220D+00
               181           182           183           184           185 
      1   0.148227D+02  0.831727D+01  0.385259D-01  0.215972D+02  0.296267D+01
      2   0.831727D+01  0.985121D+01 -0.140804D+01  0.296267D+01  0.246320D+02
      3   0.385259D-01 -0.140804D+01 -0.110481D+01  0.268334D+01 -0.358234D+01
               186           187           188           189           190 
      1   0.268334D+01  0.930004D+01  0.153249D+01 -0.287837D+01 -0.387635D+01
      2  -0.358234D+01  0.153249D+01  0.561665D+01  0.316552D+01 -0.407765D+01
      3   0.235144D+01 -0.287837D+01  0.316552D+01  0.772118D+00  0.176889D+01
               191           192           193           194           195 
      1  -0.407765D+01  0.176889D+01 -0.218663D+02  0.293111D+01  0.282094D+00
      2   0.395054D+01 -0.121451D+01  0.293111D+01 -0.359949D+02  0.417608D+01
      3  -0.121451D+01 -0.139247D+01  0.282094D+00  0.417608D+01 -0.109920D+01
               196           197           198           199           200 
      1  -0.400400D+01  0.160503D+01 -0.458144D+01 -0.172139D+02 -0.125680D+02
      2   0.160503D+01 -0.647266D+01 -0.730368D+00 -0.125680D+02 -0.865960D+01
      3  -0.458144D+01 -0.730368D+00 -0.234175D+01 -0.766174D-02  0.916314D+00
               201           202           203           204           205 
      1  -0.766174D-02 -0.402605D+02 -0.698701D+01  0.880422D+01 -0.172447D+02
      2   0.916314D+00 -0.698701D+01 -0.100594D+02 -0.408158D+00 -0.187988D+01
      3  -0.113883D+00  0.880422D+01 -0.408158D+00 -0.205781D+01  0.290072D+01
               206           207           208           209           210 
      1  -0.187988D+01  0.290072D+01 -0.268005D+02 -0.137716D+02  0.374473D+01
      2  -0.309180D+01 -0.118206D+01 -0.137716D+02 -0.328971D+02 -0.188752D+01
      3  -0.118206D+01 -0.135612D+01  0.374473D+01 -0.188752D+01 -0.450186D+01
               211           212           213           214           215 
      1  -0.130554D+02 -0.154443D+02  0.220816D+01 -0.194237D+01 -0.226730D+01
      2  -0.154443D+02 -0.340796D+02 -0.213185D+01 -0.226730D+01 -0.905377D+01
      3   0.220816D+01 -0.213185D+01 -0.926992D+00 -0.458760D+01  0.980998D+00
               216           217           218           219           220 
      1  -0.458760D+01  0.413487D+02  0.122565D+02 -0.795202D+01 -0.639469D+01
      2   0.980998D+00  0.122565D+02  0.270907D+02  0.138456D+01  0.301719D+00
      3   0.224964D+01 -0.795202D+01  0.138456D+01  0.452346D+01  0.183216D+01
               221           222           223           224           225 
      1   0.301719D+00  0.183216D+01 -0.452689D+01 -0.353929D+00  0.320637D+01
      2   0.805493D+01 -0.166015D+01 -0.353929D+00 -0.130342D+01  0.497406D+01
      3  -0.166015D+01  0.496795D+00  0.320637D+01  0.497406D+01  0.197088D+01
               226           227           228           229           230 
      1  -0.884363D+01  0.369186D+01  0.442841D+01  0.451754D+02  0.956473D+01
      2   0.369186D+01  0.105716D+01 -0.350499D+00  0.956473D+01  0.124440D+02
      3   0.442841D+01 -0.350499D+00 -0.163820D+01 -0.985753D+01  0.437632D+00
               231           232           233           234           235 
      1  -0.985753D+01  0.162286D+02  0.287758D+01 -0.417825D+01 -0.559171D+01
      2   0.437632D+00  0.287758D+01  0.282096D+01  0.164416D+01 -0.568064D+01
      3   0.201354D+01 -0.417825D+01  0.164416D+01  0.225487D+01 -0.676077D+00
               236           237           238           239           240 
      1  -0.568064D+01 -0.676077D+00  0.396231D+01  0.240109D+01 -0.351653D+00
      2  -0.561150D+01  0.491435D+00  0.240109D+01  0.332948D+01 -0.219460D+01
      3   0.491435D+00  0.564651D-01 -0.351653D+00 -0.219460D+01  0.913414D+00
               241           242           243           244           245 
      1   0.430803D+01  0.216411D+01  0.144282D+01  0.121143D+02  0.308419D+01
      2   0.216411D+01 -0.704237D+00  0.249935D+01  0.308419D+01  0.697875D+01
      3   0.144282D+01  0.249935D+01  0.240453D+01 -0.153820D+01  0.550421D+00
               246           247           248           249           250 
      1  -0.153820D+01  0.459012D+01 -0.364610D+01 -0.518804D+01  0.579014D+00
      2   0.550421D+00 -0.364610D+01 -0.262221D+01 -0.556427D+00 -0.395041D+01
      3   0.312116D+01 -0.518804D+01 -0.556427D+00  0.123290D+01  0.246817D+01
               251           252           253           254           255 
      1  -0.395041D+01  0.246817D+01  0.193747D+02  0.247996D+01 -0.478350D+01
      2  -0.407649D+01  0.168036D+01  0.247996D+01  0.394752D+01  0.585499D+00
      3   0.168036D+01 -0.127052D+01 -0.478350D+01  0.585499D+00  0.128798D+01
               256           257           258           259           260 
      1  -0.471043D+01  0.163592D+01  0.137333D+01 -0.544012D+01 -0.896629D+00
      2   0.163592D+01  0.214619D+01  0.277158D+00 -0.896629D+00  0.964599D+00
      3   0.137333D+01  0.277158D+00  0.609412D+00  0.359434D+01  0.489200D+00
               261           262           263           264           265 
      1   0.359434D+01 -0.233814D+02  0.129604D+01  0.763140D+01 -0.142758D+01
      2   0.489200D+00  0.129604D+01 -0.285440D+01 -0.179867D+01 -0.725507D+00
      3  -0.171665D+01  0.763140D+01 -0.179867D+01 -0.328380D+01  0.136770D+01
               266           267           268           269           270 
      1  -0.725507D+00  0.136770D+01  0.269502D+01  0.985497D+00 -0.147408D+01
      2  -0.343940D+01  0.977917D+00  0.985497D+00  0.314047D+01 -0.203191D+01
      3   0.977917D+00 -0.112896D+01 -0.147408D+01 -0.203191D+01 -0.945781D+00
               271           272           273           274           275 
      1   0.338803D+01 -0.431504D+01  0.567518D-01 -0.292150D+01  0.445940D+01
      2  -0.431504D+01  0.630191D+01 -0.795183D-01  0.445940D+01 -0.860120D+01
      3   0.567518D-01 -0.795183D-01  0.796256D+00  0.856197D+00 -0.110754D+01
               276           277           278           279           280 
      1   0.856197D+00  0.876947D+00  0.124241D+00  0.759997D+00 -0.900482D+00
      2  -0.110754D+01  0.124241D+00 -0.145947D+01 -0.554295D+00 -0.621972D+00
      3  -0.286439D+00  0.759997D+00 -0.554295D+00 -0.907156D-01 -0.112897D+01
               281           282           283           284           285 
      1  -0.621972D+00 -0.112897D+01 -0.163674D+00 -0.119859D+01 -0.349313D+00
      2  -0.185398D+01 -0.703250D+00 -0.119859D+01 -0.996335D+01 -0.473477D+01
      3  -0.703250D+00 -0.139319D+01 -0.349313D+00 -0.473477D+01 -0.313586D+01
               286           287           288           289           290 
      1  -0.959035D+00 -0.125265D+01 -0.625563D+00 -0.119701D+02 -0.312892D+01
      2  -0.125265D+01 -0.521020D+01 -0.352814D+01 -0.312892D+01 -0.123635D+01
      3  -0.625563D+00 -0.352814D+01 -0.205763D+01 -0.490289D+01 -0.112042D+01
               291           292           293           294           295 
      1  -0.490289D+01 -0.158881D+01 -0.208966D+01 -0.110977D+01 -0.464922D+01
      2  -0.112042D+01 -0.208966D+01 -0.775672D-01 -0.826067D+00 -0.143234D+01
      3  -0.280627D+01 -0.110977D+01 -0.826067D+00 -0.952400D+00 -0.206992D+01
               296           297           298           299           300 
      1  -0.143234D+01 -0.206992D+01 -0.136251D+01 -0.234903D+01 -0.103087D+01
      2  -0.724104D+00 -0.110170D+01 -0.234903D+01 -0.157406D+01 -0.170784D+01
      3  -0.110170D+01 -0.115088D+01 -0.103087D+01 -0.170784D+01 -0.100464D+01
               301           302           303           304           305 
      1  -0.218302D+01 -0.350701D+01 -0.192953D+01 -0.109194D+01 -0.260201D+01
      2  -0.350701D+01 -0.965546D+01 -0.475361D+01 -0.260201D+01 -0.475033D+01
      3  -0.192953D+01 -0.475361D+01 -0.301922D+01 -0.133283D+01 -0.255199D+01
               306           307           308           309           310 
      1  -0.133283D+01 -0.882222D+01  0.582645D+01  0.374144D+00  0.635409D+01
      2  -0.255199D+01  0.582645D+01 -0.326129D+01 -0.562952D-01 -0.506983D+01
      3  -0.220843D+01  0.374144D+00 -0.562952D-01 -0.596554D+00 -0.622867D+00
               311           312           313           314           315 
      1  -0.506983D+01 -0.622867D+00  0.767972D+00 -0.774312D+00 -0.532538D+00
      2   0.565300D+01  0.680528D+00 -0.774312D+00  0.136183D+01 -0.720452D-01
      3   0.680528D+00  0.505268D+00 -0.532538D+00 -0.720452D-01  0.196398D+00
               316           317           318           319           320 
      1  -0.151040D+02 -0.762424D+00 -0.320442D+01 -0.214180D+01 -0.146641D+01
      2  -0.762424D+00 -0.172697D+00 -0.185646D+00 -0.146641D+01 -0.128853D+01
      3  -0.320442D+01 -0.185646D+00 -0.143178D+01 -0.929688D+00 -0.536764D+00
               321           322           323           324           325 
      1  -0.929688D+00 -0.425299D+01 -0.648641D+00 -0.110122D+01 -0.656839D+01
      2  -0.536764D+00 -0.648641D+00 -0.121781D+00  0.316661D+00  0.471632D+01
      3  -0.350797D+00 -0.110122D+01  0.316661D+00 -0.631103D+00  0.148920D+01
               326           327           328           329           330 
      1   0.471632D+01  0.148920D+01  0.340947D+01 -0.529773D+01 -0.152074D+01
      2  -0.544673D+01 -0.132235D+01 -0.529773D+01  0.631854D+01  0.161681D+01
      3  -0.132235D+01 -0.893534D+00 -0.152074D+01  0.161681D+01  0.107499D+01
               331           332           333           334           335 
      1   0.101872D+01 -0.194337D+01 -0.145847D+00  0.115086D+01  0.183387D+01
      2  -0.194337D+01  0.106086D+01  0.104997D+01  0.183387D+01  0.258441D+01
      3  -0.145847D+00  0.104997D+01  0.269565D+00  0.252933D+00  0.565556D+00
               336           337           338           339           340 
      1   0.252933D+00  0.467813D+00  0.371379D+00  0.226168D+00 -0.292523D+00
      2   0.565556D+00  0.371379D+00  0.134383D+02  0.382675D+01  0.442195D-01
      3   0.293409D+00  0.226168D+00  0.382675D+01  0.177030D+01 -0.242671D+00
               341           342           343           344           345 
      1   0.442195D-01 -0.242671D+00  0.129962D+01  0.199891D+01  0.469840D+00
      2   0.469737D+01  0.126146D+01  0.199891D+01  0.280204D+01  0.603554D+00
      3   0.126146D+01  0.930191D+00  0.469840D+00  0.603554D+00  0.394874D+00
               346           347           348           349           350 
      1   0.149233D+01  0.339091D+01  0.104492D+01  0.664483D+00  0.940540D+00
      2   0.339091D+01  0.111917D+02  0.301335D+01  0.940540D+00  0.377856D+01
      3   0.104492D+01  0.301335D+01  0.153377D+01  0.282805D+00  0.139481D+01
               351           352           353           354           355 
      1   0.282805D+00  0.101738D+02  0.469075D+01 -0.378122D+00  0.333037D+01
      2   0.139481D+01  0.469075D+01  0.293435D+01 -0.140827D+00  0.259517D+01
      3   0.789867D+00 -0.378122D+00 -0.140827D+00  0.753222D+00  0.373636D+00
               356           357           358           359           360 
      1   0.259517D+01  0.373636D+00  0.639235D-01  0.464484D+00  0.168428D+00
      2   0.232972D+01  0.147689D+00  0.464484D+00  0.510884D+00  0.246573D+00
      3   0.147689D+00  0.225835D+00  0.168428D+00  0.246573D+00  0.268864D+00
               361           362           363           364           365 
      1   0.116303D+02 -0.229810D+01 -0.248963D+01  0.145009D+01  0.571665D+01
      2  -0.229810D+01  0.198225D+01  0.157867D+00  0.571665D+01 -0.281249D+01
      3  -0.248963D+01  0.157867D+00  0.239875D+01 -0.416968D+00 -0.283437D+01
               366           367           368           369           370 
      1  -0.416968D+00 -0.495324D+00  0.703020D+00  0.572842D+01 -0.139035D+01
      2  -0.283437D+01  0.703020D+00 -0.141999D+01 -0.126183D+01 -0.119985D+01
      3  -0.690015D+00  0.572842D+01 -0.126183D+01 -0.680401D+01  0.352761D+00
               371           372           373           374           375 
      1  -0.119985D+01  0.352761D+00 -0.911742D+00 -0.105690D+01  0.647717D+00
      2  -0.188655D+01  0.474681D+00 -0.105690D+01 -0.316526D+01  0.496685D-01
      3   0.474681D+00 -0.385334D+00  0.647717D+00  0.496685D-01 -0.118950D+01
               376           377           378 
      1   0.308516D-01 -0.997682D-01 -0.131761D+00
      2  -0.997682D-01 -0.105391D+01 -0.686249D+00
      3  -0.131761D+00 -0.686249D+00 -0.659441D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.711901D+01 -0.118349D+02  0.226067D+01 -0.641987D+01  0.133091D+02
      2   0.652196D+01 -0.867309D+01  0.324238D+01 -0.436919D+01  0.767857D+01
      3  -0.289196D+01  0.539063D+00  0.824266D+00  0.547279D+01 -0.565962D+01
                 6             7             8             9            10 
      1  -0.207699D+01  0.990606D-01  0.261668D+01  0.353000D+01 -0.153772D+02
      2  -0.535236D+00  0.583925D+00 -0.782293D-01  0.247574D+01  0.959891D+01
      3   0.158017D+01 -0.159068D+01 -0.189017D+01 -0.252382D+01  0.240032D+02
                11            12            13            14            15 
      1   0.376640D+01 -0.309924D+02 -0.111778D+02  0.142180D+02 -0.166727D+02
      2   0.624091D+01 -0.300282D+01  0.313440D+01  0.671554D+01  0.200874D+01
      3  -0.109080D+02  0.316516D+02  0.195715D+02 -0.177794D+02  0.141611D+02
                16            17            18            19            20 
      1  -0.160607D+02 -0.547282D+01 -0.739485D+01  0.133090D+02  0.707201D+01
      2  -0.938842D+01  0.831844D+01  0.790004D+00 -0.157670D+01 -0.195132D+01
      3   0.231906D+02 -0.492355D+01  0.217940D+02 -0.227392D+02 -0.651340D+00
                21            22            23            24            25 
      1   0.157624D+02  0.128567D+02  0.111400D+02 -0.423221D+01  0.612419D+01
      2   0.363142D+01 -0.278132D+01 -0.783953D+01 -0.383549D+01 -0.711166D+01
      3  -0.253828D+02 -0.101479D+02 -0.246708D+02 -0.204762D-01 -0.195936D+02
                26            27            28            29            30 
      1  -0.163189D+01  0.223862D+02  0.263541D+01 -0.175307D+01  0.204543D+01
      2   0.610503D+01  0.521370D+01  0.260411D+00 -0.139555D+01 -0.490363D+00
      3   0.135030D+02 -0.308006D+02 -0.315599D+01  0.133998D+01 -0.390556D+01
                31            32            33            34            35 
      1   0.367892D+01  0.133619D+02  0.169020D+02  0.725292D+01  0.162753D+02
      2  -0.227318D+00  0.256460D+01  0.671377D+01 -0.367405D+01  0.112834D+01
      3  -0.111059D+01 -0.781088D+01 -0.133184D+02 -0.304985D+01 -0.970953D+01
                36            37            38            39            40 
      1   0.172823D+02  0.149080D+02  0.616816D+01  0.464526D+01  0.839793D+01
      2   0.263795D+01 -0.712570D+01 -0.282879D+01  0.124196D+01 -0.137078D+02
      3  -0.101450D+02 -0.257727D+02 -0.149299D+02 -0.904604D+01 -0.304303D+02
                41            42            43            44            45 
      1  -0.720085D+01  0.695490D+01  0.764701D+01  0.791520D+00  0.279016D+02
      2  -0.650492D+00 -0.337444D+00  0.228276D+00 -0.118233D+01  0.106432D+02
      3   0.911442D+01 -0.123535D+02 -0.195556D+02  0.223965D+02 -0.228379D+02
                46            47            48            49            50 
      1   0.855584D+01  0.808843D+00  0.785937D+01  0.230648D+01  0.800315D+00
      2  -0.977005D+01  0.509819D+00 -0.136951D+01  0.401756D+01 -0.129377D+01
      3  -0.156524D+02 -0.233884D+00 -0.116479D+02  0.719304D+00 -0.122980D+01
                51            52            53            54            55 
      1   0.416311D+01  0.108668D+02  0.238855D+01  0.100367D+02 -0.217123D+02
      2   0.319416D+01 -0.797503D+01  0.476965D+00 -0.267902D+01 -0.104828D+02
      3  -0.264217D+01 -0.161307D+02 -0.268137D+01 -0.134888D+02  0.145722D+02
                56            57            58            59            60 
      1   0.149524D+02 -0.156585D+02 -0.200757D+02  0.208737D+01 -0.220037D+02
      2   0.125887D+02  0.405269D+01  0.283504D+01  0.101743D+02 -0.212100D+01
      3  -0.248074D+02  0.180814D+02  0.286278D+02 -0.439649D+01  0.181133D+02
                61            62            63            64            65 
      1  -0.262766D+02  0.238033D+02 -0.269207D+02 -0.573367D+01  0.507340D+01
      2  -0.323376D+01  0.596587D+01 -0.160982D+02 -0.798802D+01  0.590595D+01
      3   0.556375D+02 -0.367349D+02  0.376874D+02 -0.853112D+01  0.205481D+01
                66            67            68            69            70 
      1   0.297238D+00  0.724533D+01 -0.884741D+01 -0.342309D+01  0.872535D+00
      2   0.522526D+00  0.914976D+01 -0.904510D+01 -0.214927D+01 -0.137646D+01
      3   0.268745D-01  0.834886D+01 -0.297165D+01  0.118377D+01 -0.102791D+01
                71            72            73            74            75 
      1  -0.299646D+01 -0.139843D+01  0.491281D+02 -0.221731D+02  0.486377D+02
      2  -0.777812D+00 -0.158074D+01  0.175987D+02 -0.584018D+01  0.154690D+02
      3   0.388318D+01  0.129611D+00 -0.841818D+02  0.457615D+02 -0.755995D+02
                76            77            78            79            80 
      1  -0.768855D+02 -0.325981D+02 -0.934871D+02 -0.221481D+01 -0.231408D+02
      2  -0.660021D+00 -0.213971D+02 -0.886262D+01 -0.425124D+01 -0.137816D+02
      3   0.125934D+03  0.426020D+01  0.144896D+03  0.165829D+02  0.318987D+02
                81            82            83            84            85 
      1  -0.152378D+02  0.412249D+02 -0.306644D+01  0.492823D+02  0.179878D+02
      2  -0.982187D+01  0.179676D+02  0.129418D+01  0.131331D+02  0.572469D+01
      3   0.307484D+02 -0.140463D+03  0.794525D+02 -0.776098D+02 -0.548405D+02
                86            87            88            89            90 
      1   0.251684D+02  0.233740D+02  0.599703D+02 -0.232796D+01  0.697537D+02
      2   0.152579D+02  0.669734D+01 -0.269808D+01  0.847227D+01  0.338489D+01
      3  -0.103132D+02 -0.532405D+02 -0.885926D+02  0.442339D+02 -0.109646D+03
                91            92            93            94            95 
      1  -0.475491D+02 -0.135359D+02 -0.530582D+02  0.358425D+02  0.455029D+01
      2   0.245812D+02 -0.164320D+02  0.170815D+02 -0.840892D+00  0.229000D+01
      3   0.912278D+02 -0.277739D+02  0.827452D+02 -0.593859D+02  0.228431D+01
                96            97            98            99           100 
      1   0.423413D+02  0.243294D+01 -0.957636D+01  0.282464D+01  0.156089D+02
      2  -0.424845D+01  0.524078D+01 -0.109839D+02 -0.222992D+01 -0.659480D+01
      3  -0.680232D+02  0.163641D+01  0.195802D+02  0.516897D+01 -0.324326D+02
               101           102           103           104           105 
      1   0.773624D+01  0.183703D+02  0.605968D+02 -0.363327D+02  0.315814D+02
      2   0.119883D+02 -0.196511D+01  0.892884D+01 -0.101061D+01  0.241779D+01
      3  -0.419177D+02 -0.385928D+02 -0.161925D+03  0.190932D+03 -0.738913D+02
               106           107           108           109           110 
      1   0.351870D+02 -0.695488D+00  0.261554D+02 -0.264685D+02 -0.156607D+02
      2  -0.171726D+02  0.148359D+01 -0.174874D+02  0.265258D+01 -0.169790D+02
      3  -0.831300D+02  0.110179D+03 -0.552371D+02  0.598291D+02  0.491356D+02
               111           112           113           114           115 
      1  -0.232443D+02 -0.908254D+02  0.624006D+02 -0.503889D+02 -0.486217D+02
      2  -0.666846D+01 -0.162402D+02  0.210178D+02 -0.507586D+01 -0.242378D+02
      3   0.533304D+02  0.230918D+03 -0.297139D+03  0.123152D+03  0.112466D+03
               116           117           118           119           120 
      1   0.290103D+02 -0.341128D+02 -0.587414D+02  0.413087D+02 -0.419399D+02
      2   0.119478D+02 -0.770953D+01 -0.114431D+02  0.104671D+02 -0.355113D+01
      3  -0.945539D+02  0.673474D+02  0.182586D+03 -0.188266D+03  0.982008D+02
               121           122           123           124           125 
      1   0.262381D+02 -0.295351D+02  0.135630D+02 -0.342056D+02  0.167897D+02
      2   0.107820D+02 -0.144144D+02  0.429975D+01 -0.171531D+02  0.106677D+02
      3  -0.560416D+02  0.118610D+03 -0.304953D+02  0.670864D+02 -0.760714D+02
               126           127           128           129           130 
      1  -0.494903D+02  0.402693D+02 -0.680251D+02  0.133031D+02 -0.621246D+01
      2  -0.947285D+01  0.910734D+01 -0.331254D+02  0.421686D+01 -0.100020D+02
      3   0.494094D+02 -0.608188D+02  0.332722D+03 -0.224861D+02  0.761776D+02
               131           132           133           134           135 
      1  -0.154118D+02 -0.576357D+00  0.501118D+01 -0.582222D+01 -0.499798D+01
      2  -0.168592D+02 -0.180572D+01 -0.190784D+02 -0.143197D+02 -0.694427D+01
      3   0.728943D+02  0.213218D+02  0.249396D+02  0.128612D+03  0.292296D+01
               136           137           138           139           140 
      1  -0.424261D+02  0.861177D+02 -0.156283D+02  0.615451D+01  0.161366D+02
      2  -0.928600D+01  0.631442D+02 -0.557795D+01  0.209072D+02  0.192504D+02
      3   0.649877D+02 -0.439464D+03  0.337925D+02 -0.596201D+02 -0.894218D+02
               141           142           143           144           145 
      1   0.864413D+00 -0.112339D+02  0.549294D+02 -0.515042D+00 -0.150392D+02
      2   0.627174D+01  0.342180D+00  0.276735D+02  0.133284D+01 -0.104175D+02
      3  -0.155435D+02 -0.581962D+01 -0.148505D+03  0.336938D+01  0.477498D+02
               146           147           148           149           150 
      1   0.580754D+01 -0.155766D+02  0.306877D+02 -0.633529D+02  0.241527D+02
      2   0.100689D+02  0.755133D+01 -0.752626D+01 -0.444074D+02 -0.759406D+01
      3  -0.699686D+02  0.180586D+02 -0.221190D+02  0.237832D+03 -0.276793D+02
               151           152           153           154           155 
      1  -0.121363D+02  0.973887D+01 -0.103044D+02  0.523081D+02 -0.204655D+02
      2   0.101659D+02 -0.755529D+01  0.833695D+01  0.190832D+02 -0.194740D+02
      3   0.265120D+00  0.420503D+02  0.129930D+02 -0.116265D+03  0.103343D+03
               156           157           158           159           160 
      1   0.378724D+02 -0.193901D+02  0.296292D+02 -0.204396D+02  0.987893D+01
      2   0.315928D+01 -0.294272D+01  0.838088D+01  0.408145D+01 -0.846188D+01
      3  -0.690618D+02  0.418863D+02 -0.119466D+03  0.313911D+02 -0.414034D+02
               161           162           163           164           165 
      1  -0.803133D+01  0.843936D+01 -0.113524D+02 -0.359168D+02  0.186465D+01
      2   0.256868D+02  0.952325D+01 -0.106144D+02 -0.115292D+02 -0.119969D+01
      3   0.144727D+02 -0.503737D+02  0.142334D+03  0.149471D+03 -0.989282D-01
               166           167           168           169           170 
      1  -0.992100D+00  0.340607D+02  0.187840D+01 -0.655497D+01  0.358553D+02
      2   0.177534D+02  0.245210D+02  0.176438D+01 -0.179853D+02  0.136998D+02
      3  -0.110181D+03 -0.219077D+03 -0.180739D+02 -0.931665D+01 -0.794983D+02
               171           172           173           174           175 
      1  -0.504488D+01  0.219048D+02  0.353907D+02  0.178528D+01 -0.236321D+01
      2   0.208514D+01  0.398965D+02  0.241607D+02 -0.272378D-01 -0.111614D+02
      3  -0.140180D+01 -0.217960D+03 -0.194338D+03 -0.135664D+01  0.152614D+03
               176           177           178           179           180 
      1  -0.622881D+02  0.384381D+01  0.107872D+02  0.307140D-01  0.143485D+01
      2  -0.496443D+02 -0.241413D+01 -0.107060D+02 -0.231788D+02 -0.619066D+01
      3   0.350439D+03  0.108165D+02  0.113595D+02  0.847392D+02  0.390934D+01
               181           182           183           184           185 
      1  -0.178760D+02 -0.206373D+02  0.205366D+00 -0.306886D+01 -0.362792D+02
      2  -0.250254D+02 -0.858889D+01  0.351270D+01 -0.172496D+02 -0.165136D+02
      3   0.122703D+03  0.901971D+02 -0.468916D+01  0.767630D+02  0.180147D+03
               186           187           188           189           190 
      1  -0.251884D+01  0.124480D+02 -0.316100D+01 -0.329972D+01  0.882586D+01
      2  -0.964846D+01 -0.230880D+01 -0.374211D+02 -0.106683D+02  0.325886D+01
      3  -0.135904D+02  0.286981D+02  0.496128D+02  0.176655D+02 -0.453029D+02
               191           192           193           194           195 
      1  -0.105358D+02  0.307490D+01 -0.210703D+02  0.446872D+02 -0.503941D+01
      2  -0.725624D+01  0.950653D+01 -0.117677D+02  0.369629D+02  0.231246D+01
      3   0.338304D+02 -0.800938D+01 -0.478967D+01 -0.266308D+03  0.273534D+02
               196           197           198           199           200 
      1   0.867405D+00  0.311333D+02  0.608756D+01  0.521084D+01  0.146020D+02
      2   0.175482D+02  0.202425D+02  0.117866D+02 -0.669365D+01 -0.529318D+01
      3  -0.662537D+01 -0.409079D+02 -0.146806D+02 -0.519762D+02 -0.365599D+02
               201           202           203           204           205 
      1   0.641130D+00 -0.246531D+00  0.112149D+02 -0.949969D+00 -0.186999D+01
      2  -0.911153D+00  0.138389D+02  0.637496D+00 -0.215704D+01 -0.674619D+01
      3  -0.188444D+01 -0.185291D+03 -0.459166D+02  0.411190D+02 -0.810150D+02
               206           207           208           209           210 
      1   0.201354D+02  0.314625D+01  0.518921D+01  0.336428D+02  0.132619D+02
      2  -0.784596D+00  0.339996D+01  0.227056D+02  0.285254D+02  0.630933D+01
      3  -0.424768D+02  0.150606D+02 -0.186161D+03 -0.200292D+03  0.120070D+02
               211           212           213           214           215 
      1  -0.562205D+01  0.337828D+02 -0.170416D+01  0.289771D+02  0.161276D+02
      2   0.114697D+02  0.382365D+02  0.108100D+01  0.692753D+00 -0.326915D+01
      3  -0.107941D+03 -0.228735D+03  0.211927D+01 -0.236385D+02 -0.492620D+02
               216           217           218           219           220 
      1  -0.486421D+01 -0.525390D+01 -0.326702D+02 -0.909262D+01  0.431317D+01
      2  -0.314601D+00 -0.338477D+02 -0.135001D+02  0.100580D+01  0.870082D+01
      3  -0.210267D+02  0.274485D+03  0.138133D+03 -0.425002D+02 -0.319708D+02
               221           222           223           224           225 
      1   0.623243D+01 -0.732077D+01 -0.130227D+02 -0.175601D+02 -0.982972D+01
      2  -0.641188D+01 -0.352977D+01 -0.188098D+02 -0.137319D+02 -0.701156D+01
      3   0.494806D+02  0.923185D+01 -0.313302D+02  0.731935D+01  0.384883D+02
               226           227           228           229           230 
      1   0.851210D+00  0.523875D+00 -0.131624D+01  0.702910D+01 -0.235157D+02
      2  -0.443004D+01 -0.154729D+02 -0.357042D+01 -0.298636D+02 -0.170870D+01
      3  -0.376771D+02  0.746805D+02  0.192820D+02  0.296818D+03  0.706416D+02
               231           232           233           234           235 
      1   0.268859D+01 -0.738058D+00  0.120101D+00 -0.370775D+01 -0.348830D+01
      2   0.751969D+01 -0.304359D+02 -0.495885D+01  0.597851D+01  0.103754D+02
      3  -0.667278D+02  0.974871D+02  0.188158D+02 -0.224941D+02 -0.592727D+02
               236           237           238           239           240 
      1   0.195493D+01  0.265557D+01  0.988239D+00  0.316955D+01 -0.556219D+01
      2   0.149395D+02 -0.220388D+01  0.161268D+01 -0.366395D+01  0.194203D+01
      3  -0.738137D+02  0.659365D+01  0.278111D+02  0.341454D+01 -0.114791D+01
               241           242           243           244           245 
      1  -0.776255D+01 -0.825830D+01 -0.907472D+01 -0.800605D+00 -0.501060D+01
      2  -0.177899D+02  0.354963D+01  0.102621D+02 -0.411083D+01 -0.431660D+01
      3   0.276184D+02  0.255208D+02 -0.134167D+01  0.623221D+02  0.237114D+02
               246           247           248           249           250 
      1  -0.962528D+01  0.140842D+02  0.172514D+01 -0.137579D+01 -0.133324D+02
      2   0.870939D+01 -0.779017D+00 -0.145398D+01 -0.295713D+01  0.519241D+01
      3  -0.684000D+01  0.454457D+01 -0.176165D+02 -0.991840D+01 -0.319501D+01
               251           252           253           254           255 
      1   0.646750D+01  0.863125D+01  0.716175D+01  0.917160D+00 -0.388893D+01
      2   0.726153D+01 -0.518635D+01 -0.214075D+02 -0.133315D+01 -0.649743D+00
      3  -0.208122D+02  0.178077D+02  0.125363D+03  0.221007D+02 -0.437848D+02
               256           257           258           259           260 
      1   0.483981D+01 -0.118552D+02 -0.431332D+01 -0.103283D+02  0.801599D+01
      2  -0.230515D+01  0.416064D+01  0.680738D+01 -0.129614D+02 -0.281879D+01
      3   0.419301D+01  0.539905D+01 -0.138640D+02 -0.209354D+02 -0.161279D+02
               261           262           263           264           265 
      1   0.872925D+01 -0.942452D+01  0.253132D+01  0.445205D+01 -0.447960D+01
      2   0.846987D+01  0.837233D+01  0.796309D+01  0.158326D+01  0.404078D+01
      3   0.111465D+02 -0.120988D+03 -0.260698D+02  0.395178D+02 -0.175155D+01
               266           267           268           269           270 
      1  -0.236339D+01  0.280813D+00  0.236291D+01  0.625691D+01  0.348854D+01
      2  -0.110731D+01 -0.354111D+01 -0.121314D+02 -0.472484D+01 -0.275887D+01
      3   0.166896D+02  0.560284D+01 -0.799004D+00 -0.590895D+01  0.886830D+01
               271           272           273           274           275 
      1   0.220195D+01 -0.222580D+01  0.574801D+01  0.361909D+01 -0.399274D+01
      2   0.131244D+01 -0.111552D+01  0.285797D+01 -0.232070D+00  0.110719D+01
      3  -0.174274D+02  0.167924D+02 -0.222041D+01  0.154845D+02 -0.194453D+02
               276           277           278           279           280 
      1  -0.222174D+01  0.247310D+01  0.708857D+00 -0.283907D+00 -0.543277D+01
      2  -0.101203D+01  0.864155D+00  0.177484D+00  0.141599D+00 -0.123473D+01
      3  -0.564111D+01 -0.889948D+01  0.906448D+00 -0.498415D+01  0.634256D+01
               281           282           283           284           285 
      1  -0.132326D+01 -0.685979D+01 -0.980580D+00 -0.118915D+02 -0.126549D+02
      2   0.232203D+00 -0.247547D+00 -0.105773D+01  0.140218D+01  0.199341D+01
      3  -0.305441D+01  0.661026D+01  0.855570D+00 -0.270696D+01 -0.246725D+01
               286           287           288           289           290 
      1  -0.836152D+00 -0.868959D+01 -0.591972D+01 -0.846103D+01  0.425720D+00
      2  -0.210896D+01  0.572634D+00  0.967984D+00  0.156141D+01  0.937362D+00
      3   0.694036D+01  0.299980D+01  0.255657D-01  0.132669D+02 -0.291410D+01
               291           292           293           294           295 
      1  -0.554738D+01 -0.335120D-01 -0.202407D+01 -0.161635D+01 -0.124070D+01
      2   0.716310D+01  0.388126D+01 -0.112536D+01  0.274470D+01 -0.131993D+01
      3   0.602062D+01 -0.612654D+01  0.772128D+01 -0.633514D+00  0.441508D+01
               296           297           298           299           300 
      1  -0.158675D+01 -0.447400D+00  0.680611D+00 -0.345654D+01 -0.926141D+00
      2   0.114317D+01  0.253432D+01  0.283785D+01  0.183560D+01  0.343193D+01
      3   0.981721D+00 -0.154020D+01 -0.655811D+01  0.294448D+01 -0.494449D+01
               301           302           303           304           305 
      1  -0.119636D+01  0.303304D+00 -0.509415D+01  0.488942D+00  0.212188D+01
      2   0.151750D+01  0.123625D+02  0.807930D+01  0.188800D+01  0.265845D+01
      3  -0.171441D+01 -0.266000D+02 -0.119230D+02 -0.555880D+01 -0.898488D+01
               306           307           308           309           310 
      1  -0.355387D+01 -0.342608D+01  0.423787D+00  0.262945D+01  0.328422D+01
      2   0.443854D+01 -0.370273D+01 -0.648192D-01  0.429525D+01  0.374937D+01
      3  -0.439829D+01  0.128174D+02 -0.565925D+01  0.578901D+00 -0.955768D+01
               311           312           313           314           315 
      1  -0.452532D+01 -0.350089D+01  0.212109D+00  0.670502D+00 -0.225477D+00
      2  -0.659327D+01 -0.447529D+01 -0.319358D+00  0.175239D+01 -0.413105D+00
      3   0.225179D+02  0.324803D+01 -0.120860D+01  0.722259D+01 -0.237350D+01
               316           317           318           319           320 
      1   0.144888D+01  0.681478D+00  0.308181D+00  0.104297D+01  0.266988D+01
      2   0.730924D+01  0.269043D+00  0.848694D+01  0.445092D+01  0.419833D+01
      3  -0.156762D+02 -0.310353D+01 -0.423210D+01 -0.801957D+01 -0.118338D+02
               321           322           323           324           325 
      1   0.176989D+00  0.189246D+00  0.565102D+00 -0.720356D+00 -0.168898D+01
      2   0.258379D+01 -0.280387D+00 -0.155581D+01  0.184572D+01  0.256302D+01
      3  -0.409115D+01 -0.728341D+01 -0.450189D+01  0.175792D+01 -0.168300D+02
               326           327           328           329           330 
      1   0.234210D+01  0.405625D+01  0.411003D+01 -0.129439D+01 -0.463621D+01
      2   0.388563D+00  0.332806D+01  0.185093D+01  0.298892D+00 -0.303073D+01
      3  -0.959197D+00  0.175248D+01 -0.775881D+00 -0.427326D+01 -0.203155D+01
               331           332           333           334           335 
      1  -0.289766D+01 -0.792002D+00 -0.121705D+01 -0.106789D+01 -0.146739D+01
      2  -0.164327D+01 -0.276890D+00 -0.125529D+01 -0.270834D+01 -0.258448D+01
      3  -0.187675D+01 -0.688521D+01  0.397048D+01  0.131424D+02  0.127843D+02
               336           337           338           339           340 
      1  -0.140263D+01 -0.120834D+01 -0.771339D+01 -0.842459D+01  0.288771D+01
      2   0.205224D-01 -0.160931D+01 -0.708110D+01 -0.241430D+01  0.609556D+00
      3   0.145503D+01  0.519828D+01  0.251979D+02  0.904576D+01 -0.178656D+01
               341           342           343           344           345 
      1   0.219701D+01 -0.277915D+01 -0.152294D+01 -0.121903D+01 -0.162573D+01
      2  -0.106751D+01 -0.264375D+00  0.985075D+00  0.459570D-01  0.639158D+00
      3   0.771454D+01 -0.454212D+00 -0.162314D+00  0.249326D+01  0.192363D+01
               346           347           348           349           350 
      1  -0.280101D+01 -0.740179D+01 -0.818727D+01 -0.685995D+00 -0.141467D+01
      2   0.884615D-01  0.393138D+01  0.272927D+01 -0.851659D+00  0.426843D+00
      3   0.485824D+01 -0.217205D+01 -0.341975D+00  0.267515D+01 -0.334104D+01
               351           352           353           354           355 
      1  -0.278215D+01 -0.281993D+00 -0.256911D+00 -0.308042D+01 -0.252562D+01
      2   0.681811D+00 -0.113252D+01 -0.433245D+00  0.456083D+01  0.266468D+01
      3  -0.163203D+00  0.284571D+02  0.726881D+01 -0.154993D+01  0.508430D+01
               356           357           358           359           360 
      1  -0.128909D+01 -0.110891D+01  0.646897D+00  0.219177D+00 -0.703444D+00
      2   0.979376D+00  0.115646D+01 -0.144304D+01 -0.651296D+00  0.667417D+00
      3   0.282107D+01  0.214209D+01 -0.404101D+01  0.965231D+00 -0.385746D-01
               361           362           363           364           365 
      1   0.354824D+01 -0.543917D+01 -0.107721D+01 -0.185519D+01  0.899099D+01
      2   0.574627D+01  0.966500D+00  0.157604D+02 -0.352412D+01 -0.617475D+01
      3   0.100094D+02 -0.321381D+02  0.178872D+01  0.642661D+01  0.300593D+02
               366           367           368           369           370 
      1  -0.419960D+01 -0.767545D+01  0.147921D+02  0.687574D+01  0.103575D+01
      2  -0.394755D+01 -0.515152D+00 -0.529442D+01 -0.115766D+02 -0.208867D+01
      3   0.634698D+01  0.975058D+01  0.153908D+02  0.153144D+02  0.202961D+01
               371           372           373           374           375 
      1   0.442683D+01 -0.477670D+00  0.150743D+01  0.790921D+01 -0.153273D+01
      2  -0.212023D+01 -0.542738D+00 -0.225060D+01 -0.373268D+01 -0.706222D+00
      3   0.414047D+01 -0.875180D+00  0.831683D+01  0.158179D+02 -0.272437D+01
               376           377           378 
      1   0.680983D+00  0.432426D+01  0.199477D+00
      2  -0.207480D+01 -0.172918D+01 -0.376201D+00
      3  -0.334692D+01  0.777274D+00  0.436412D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.292394D+01 -0.377195D+01  0.224695D+01  0.160241D+01 -0.371949D-01
      2  -0.246821D+01  0.221380D+01  0.279118D+01  0.194447D+01 -0.184703D+01
      3  -0.455734D+00  0.155815D+01 -0.503813D+01 -0.354688D+01  0.188423D+01
      4   0.335979D+00 -0.984144D+00  0.887439D+00  0.580404D-01 -0.197339D+00
      5  -0.838060D+01  0.855523D+01  0.277677D+01  0.798309D+01 -0.903389D+01
      6   0.408457D+01 -0.593855D+01 -0.452823D+00 -0.314147D+01  0.722732D+01
                 6             7             8             9            10 
      1  -0.317647D+01  0.140860D+01 -0.366945D+01 -0.209156D+00 -0.146768D+02
      2  -0.464125D+01  0.158351D+01 -0.175502D+01 -0.186641D+01  0.170694D+02
      3   0.781772D+01 -0.299211D+01  0.542446D+01  0.207556D+01 -0.239262D+01
      4   0.813422D+00  0.191925D+01  0.507673D+00  0.309530D+00  0.230089D+02
      5  -0.433910D+01  0.177476D+01 -0.174500D+01 -0.438831D+01 -0.268496D+02
      6   0.299845D+01 -0.516937D+00  0.303521D+01  0.426828D+01  0.127118D+02
                11            12            13            14            15 
      1   0.143227D+02  0.116083D+02 -0.156401D+02  0.969926D+01 -0.984029D+01
      2   0.514422D+00  0.351263D+02  0.194891D+02 -0.486415D+01  0.157613D+02
      3  -0.148371D+02 -0.467346D+02 -0.384901D+01 -0.483511D+01 -0.592102D+01
      4   0.249430D+01  0.817379D+01  0.811785D+01  0.181782D+02  0.845045D+01
      5   0.710960D+01  0.360376D+01 -0.147684D+02  0.132353D+01 -0.726898D+00
      6  -0.539966D+01  0.167105D+02  0.135272D+02  0.587613D+01  0.131708D+02
                16            17            18            19            20 
      1  -0.140400D+02  0.891838D+01 -0.334113D+01  0.232004D+02 -0.201146D+02
      2   0.363753D+02 -0.900105D+01  0.302733D+02 -0.200106D+02  0.114561D+02
      3  -0.223353D+02  0.826722D-01 -0.269322D+02 -0.318983D+01  0.865850D+01
      4   0.158234D+02  0.186384D+01  0.273969D+02 -0.280276D+02  0.538279D+01
      5  -0.148579D+02  0.172664D+02 -0.253079D+02  0.257430D+02 -0.226380D+02
      6   0.261461D+02 -0.113140D+02  0.234507D+02 -0.225645D+02  0.156021D+02
                21            22            23            24            25 
      1   0.172319D+02 -0.105797D+01  0.229401D+02  0.107380D+02  0.583245D+01
      2   0.210207D+01 -0.144344D+02 -0.130003D+02 -0.626823D+01 -0.208089D+02
      3  -0.193340D+02  0.154924D+02 -0.993980D+01 -0.446980D+01  0.149765D+02
      4  -0.204320D+02  0.145070D+02 -0.269890D+01  0.185335D+01 -0.175382D+02
      5   0.329963D+01  0.108363D+02  0.123134D+02  0.159910D+02  0.238031D+02
      6  -0.232744D+01  0.852204D+01 -0.111073D+02 -0.563011D+01 -0.216935D+02
                26            27            28            29            30 
      1  -0.118231D+01 -0.223130D+02 -0.174951D+01  0.173299D+00 -0.278065D+01
      2   0.128898D+02 -0.451226D+02 -0.809275D+01 -0.142171D+01 -0.101767D+02
      3  -0.117074D+02  0.674356D+02  0.984226D+01  0.124841D+01  0.129574D+02
      4  -0.296635D+01 -0.180405D+02  0.461637D+00  0.251437D+01  0.768881D+00
      5  -0.165648D+02  0.873128D+01  0.680868D+01  0.398217D+01  0.128801D+02
      6   0.343248D+01 -0.455452D+02  0.134543D+01  0.180422D+01 -0.159907D+01
                31            32            33            34            35 
      1  -0.389914D+01 -0.132595D+02 -0.229321D+02 -0.464918D+01 -0.111726D+02
      2  -0.599295D+01 -0.128156D+02 -0.268855D+02 -0.105059D+02 -0.153204D+02
      3   0.989208D+01  0.260752D+02  0.498176D+02  0.151550D+02  0.264931D+02
      4   0.446301D+01  0.742444D+01  0.944121D+01  0.383091D+01  0.594307D+01
      5   0.522344D+01  0.665182D+01  0.904400D+01  0.106374D+02  0.849567D+01
      6   0.681321D+01  0.173939D+02  0.205881D+02  0.648236D+01  0.124587D+02
                36            37            38            39            40 
      1  -0.248649D+02  0.151091D+01  0.138233D+02 -0.892413D+01  0.343164D+02
      2  -0.332880D+02 -0.501900D+01 -0.218362D+02 -0.848249D+01 -0.219952D+02
      3   0.581529D+02  0.350809D+01  0.801296D+01  0.174066D+02 -0.123212D+02
      4   0.974849D+01  0.298967D+01  0.808291D+01  0.678917D+01 -0.355139D+02
      5   0.178702D+02 -0.599440D+01  0.149431D+02 -0.121173D+01  0.197276D+02
      6   0.215517D+02  0.101077D+02 -0.112342D+01  0.682169D+01 -0.244866D+02
                41            42            43            44            45 
      1  -0.206125D+02  0.134019D+02 -0.167471D+02 -0.427080D+00 -0.450950D+02
      2   0.102504D+02  0.142755D+02  0.391471D+00  0.538346D+01 -0.136493D+02
      3   0.103622D+02 -0.276774D+02  0.163556D+02 -0.495638D+01  0.587443D+02
      4   0.882056D+01 -0.182308D+02 -0.308962D+02  0.183623D+02 -0.226993D+02
      5  -0.224607D+02 -0.291324D+01  0.556178D+01 -0.193031D+02  0.108239D+02
      6   0.199820D+02  0.306026D+01 -0.350705D+02  0.370611D+02 -0.474407D+02
                46            47            48            49            50 
      1   0.253102D+02 -0.122892D+01  0.980612D+01 -0.396701D+01  0.806256D+00
      2  -0.452669D+02  0.584121D+01 -0.367599D+02 -0.203537D+01 -0.290836D+01
      3   0.199567D+02 -0.461230D+01  0.269538D+02  0.600237D+01  0.210210D+01
      4  -0.253501D+02  0.900750D+01 -0.193042D+02  0.971100D+01 -0.369013D+01
      5   0.651763D+02 -0.106632D+02  0.539747D+02 -0.246236D+01  0.727935D+01
      6  -0.252387D+02  0.967828D+01 -0.241079D+02  0.742558D+01 -0.372746D+01
                51            52            53            54            55 
      1  -0.375005D+01  0.132341D+02  0.207271D+00  0.616890D+01  0.169420D+02
      2  -0.650082D+01 -0.375181D+02  0.147649D+01 -0.361632D+02 -0.573810D+01
      3   0.102509D+02  0.242840D+02 -0.168376D+01  0.299943D+02 -0.112039D+02
      4   0.627915D+01 -0.127700D+02  0.410291D+01 -0.115731D+02  0.191259D+02
      5   0.176234D+01  0.489306D+02 -0.446479D+01  0.469987D+02 -0.370349D+01
      6   0.461908D+01 -0.151368D+02  0.549783D+01 -0.152797D+02  0.173915D+02
                56            57            58            59            60 
      1   0.889388D+01  0.123171D+02  0.180607D+01 -0.163758D+02  0.176305D+02
      2  -0.724557D+01 -0.786982D+01  0.256234D+02  0.571150D+00  0.503852D+01
      3  -0.164830D+01 -0.444723D+01 -0.274294D+02  0.158047D+02 -0.226691D+02
      4  -0.139637D+02  0.172796D+02  0.106848D+02 -0.244923D+00  0.263694D+02
      5   0.138866D+02  0.620175D+01 -0.244658D+02  0.196597D+02 -0.210296D+02
      6  -0.229631D+02  0.980140D+01  0.281894D+02 -0.362259D+02  0.417941D+02
                61            62            63            64            65 
      1  -0.184331D+02  0.269468D+02  0.144001D+02  0.128197D+02 -0.411483D+01
      2   0.315377D+02 -0.294827D+02  0.127972D+02  0.119106D+02 -0.170720D+02
      3  -0.131045D+02  0.253590D+01 -0.271973D+02 -0.247303D+02  0.211868D+02
      4   0.377697D+02  0.365604D+01  0.174971D+02 -0.472261D+02  0.427191D+02
      5  -0.196696D+02  0.158760D+02 -0.925664D+01  0.153672D+02 -0.132175D+02
      6   0.265135D+02 -0.605644D+00  0.152991D+02 -0.201662D+02  0.218841D+02
                66            67            68            69            70 
      1  -0.126249D+00 -0.607007D+01 -0.190156D+01  0.158840D+01  0.196513D+01
      2   0.245146D+01 -0.206080D+02  0.318681D+02 -0.361851D+01 -0.388277D+01
      3  -0.232521D+01  0.266780D+02 -0.299665D+02  0.203011D+01  0.191764D+01
      4  -0.949424D+01  0.447488D+02 -0.475487D+02  0.548052D+01 -0.501402D+00
      5   0.711283D+01 -0.958357D+01  0.932979D+01 -0.442656D+01  0.620445D+01
      6  -0.900771D+01  0.178757D+02 -0.220659D+02  0.698938D+01 -0.517325D+01
                71            72            73            74            75 
      1  -0.213245D+01 -0.152196D+00 -0.229986D+02 -0.109157D+02 -0.219539D+02
      2   0.762370D+01  0.273053D+01 -0.214885D+02  0.112526D+02 -0.242738D+02
      3  -0.549124D+01 -0.257834D+01  0.444870D+02 -0.336844D+00  0.462276D+02
      4  -0.331553D+01 -0.575377D+01 -0.488873D+02  0.108300D+02 -0.346388D+02
      5  -0.429052D+01  0.194547D+01  0.209051D+02 -0.139416D+02  0.172586D+02
      6   0.307239D+01 -0.226976D+01 -0.399040D+02  0.381216D+01 -0.314483D+02
                76            77            78            79            80 
      1   0.381841D+02 -0.347677D+02  0.224718D+02  0.227847D+01 -0.118379D+02
      2   0.422906D+02  0.555436D+02  0.834327D+02  0.985164D+01  0.250876D+02
      3  -0.804747D+02 -0.207759D+02 -0.105904D+03 -0.121301D+02 -0.132497D+02
      4   0.453825D+02 -0.284415D+02  0.432964D+02 -0.282400D+01 -0.762203D+01
      5  -0.397469D+02 -0.675379D+01 -0.404116D+02 -0.502413D+01 -0.117591D+02
      6   0.552618D+02 -0.116173D+00  0.638504D+02  0.283847D+01  0.167489D+02
                81            82            83            84            85 
      1  -0.763452D+01 -0.505566D+02  0.818541D+02 -0.892063D+01 -0.183680D+02
      2   0.405271D+02 -0.482689D+01 -0.796685D+02 -0.338268D+02 -0.117578D+02
      3  -0.328926D+02  0.553835D+02 -0.218554D+01  0.427474D+02  0.301258D+02
      4  -0.116499D+01 -0.439085D+02  0.178048D+02 -0.195783D+02 -0.239107D+02
      5  -0.175756D+02  0.108027D+02  0.121282D+02  0.255311D+02  0.100390D+02
      6   0.111550D+02 -0.192829D+02 -0.114480D+02 -0.477136D+02 -0.979966D+01
                86            87            88            89            90 
      1  -0.575323D+01  0.497262D+01 -0.470425D+02  0.817678D+02 -0.292603D+02
      2  -0.869837D+00 -0.484151D+02  0.108123D+01 -0.104496D+03 -0.241944D+02
      3   0.662306D+01  0.434425D+02  0.459613D+02  0.227283D+02  0.534547D+02
      4   0.297480D+02 -0.611531D+01 -0.164886D+02  0.133847D+02 -0.271425D+02
      5   0.704597D+01  0.175598D+02  0.274244D+02  0.862250D+01  0.211251D+02
      6  -0.224211D+02 -0.109823D+02 -0.443705D+02  0.285255D+02 -0.569734D+02
                91            92            93            94            95 
      1   0.650630D+02 -0.278217D+02  0.380114D+02 -0.564728D+01  0.237901D+01
      2   0.187853D+02  0.312435D+02  0.500446D+02 -0.491546D+02 -0.145157D+02
      3  -0.838484D+02 -0.342178D+01 -0.880560D+02  0.548019D+02  0.121367D+02
      4   0.617762D+02 -0.284635D+02  0.463299D+02 -0.337954D+02  0.509867D+00
      5  -0.359704D+02 -0.543665D+01 -0.290730D+02  0.261693D+02 -0.653039D+01
      6   0.547704D+02 -0.450655D+01  0.595985D+02 -0.464304D+02 -0.331904D+00
                96            97            98            99           100 
      1  -0.646187D+01  0.319964D+02 -0.211621D+02  0.231988D+02 -0.372333D+02
      2  -0.614839D+02 -0.180764D+02  0.122689D+02 -0.827808D+01 -0.111122D+02
      3   0.679457D+02 -0.139200D+02  0.889328D+01 -0.149207D+02  0.483456D+02
      4  -0.412315D+02  0.995475D+01 -0.280213D+02  0.581206D+01 -0.329688D+02
      5   0.330397D+02 -0.454737D+00 -0.325652D+01 -0.447665D+01  0.290631D+01
      6  -0.481083D+02  0.491518D+01 -0.438190D+01  0.521051D+01 -0.264337D+02
               101           102           103           104           105 
      1  -0.147262D+02 -0.226003D+02 -0.113007D+03  0.153444D+03 -0.699199D+02
      2   0.961191D+00 -0.214246D+02  0.533382D+02 -0.118596D+03  0.293818D+02
      3   0.137650D+02  0.440249D+02  0.596686D+02 -0.348478D+02  0.405380D+02
      4   0.392856D+02 -0.236418D+02 -0.563235D+02 -0.225953D+02 -0.438367D+02
      5   0.170717D+02  0.142705D+02 -0.162600D+01 -0.345859D+02 -0.285371D+01
      6   0.692524D+00 -0.257552D+02 -0.545828D+02  0.158336D+02 -0.294078D+02
               106           107           108           109           110 
      1  -0.868190D+02  0.668544D+02 -0.465853D+02 -0.125274D+02  0.552727D+02
      2   0.272993D+02 -0.502658D+02 -0.543246D+01  0.498478D+02 -0.667770D+02
      3   0.595197D+02 -0.165886D+02  0.520177D+02 -0.373204D+02  0.115042D+02
      4  -0.418975D+02  0.979298D+01 -0.327142D+02  0.622458D+02  0.379783D+02
      5   0.548817D+01 -0.504392D+01 -0.210684D+01  0.139531D+02  0.180300D+02
      6  -0.398964D+02  0.532728D+01 -0.362254D+02  0.402655D+02 -0.106201D+02
               111           112           113           114           115 
      1   0.318175D+02  0.144317D+03 -0.183692D+03  0.792329D+02  0.613534D+02
      2  -0.225922D+01 -0.708327D+02  0.153608D+03 -0.185514D+02 -0.124521D+02
      3  -0.295583D+02 -0.734847D+02  0.300841D+02 -0.606815D+02 -0.489013D+02
      4   0.456135D+02  0.591856D+02 -0.124763D+02  0.377437D+02  0.452989D+02
      5   0.896873D+01 -0.566842D+01  0.249052D+02 -0.122044D+01  0.244199D+01
      6   0.223827D+02  0.537277D+02 -0.179210D+02  0.346823D+02  0.423942D+02
               116           117           118           119           120 
      1  -0.478054D+02  0.345987D+02  0.984253D+02 -0.143807D+03  0.445662D+02
      2   0.195919D+02 -0.162512D+01 -0.442921D+02  0.156454D+03  0.101784D+00
      3   0.282135D+02 -0.329735D+02 -0.541332D+02 -0.126462D+02 -0.446680D+02
      4  -0.714304D+01  0.426625D+02  0.520566D+02 -0.483400D+02  0.146147D+02
      5   0.255977D+02  0.230407D+00 -0.194916D+02 -0.105872D+02 -0.178304D+02
      6   0.392842D+01  0.353467D+02  0.239036D+02 -0.322739D+02  0.263779D+02
               121           122           123           124           125 
      1  -0.559743D+02  0.778778D+02 -0.153160D+02  0.489784D+02 -0.399763D+02
      2   0.499234D+02 -0.559254D+02  0.371356D+01 -0.354826D+02  0.348929D+02
      3   0.605082D+01 -0.219525D+02  0.116025D+02 -0.134957D+02  0.508342D+01
      4   0.104572D+02  0.301145D+02 -0.234802D+01  0.167516D+02 -0.389414D+02
      5   0.603511D+01 -0.871148D+01  0.633696D+01  0.106288D+00 -0.670790D+01
      6  -0.119455D+02 -0.114686D+02 -0.155964D+02  0.229353D+02 -0.688570D+01
               126           127           128           129           130 
      1   0.111590D+02 -0.113531D+03  0.128127D+03 -0.371968D+02 -0.176997D+02
      2   0.117206D+01  0.736303D+02 -0.521013D+02  0.286722D+02  0.143307D+02
      3  -0.123310D+02  0.399008D+02 -0.760262D+02  0.852452D+01  0.336903D+01
      4   0.872146D+01 -0.748790D+01 -0.140448D+03 -0.747279D+01  0.147017D+01
      5  -0.175027D+02 -0.125347D+02 -0.916572D+02 -0.356547D+01 -0.102348D+02
      6   0.511661D+02 -0.164979D+02  0.512127D+00 -0.645331D+01  0.211950D+02
               131           132           133           134           135 
      1  -0.561785D+02  0.123723D+02 -0.316520D+02  0.201415D+02 -0.135274D+02
      2   0.597973D+02 -0.197200D+02  0.263087D+02  0.613411D+01  0.464849D+01
      3  -0.361875D+01  0.734767D+01  0.534327D+01 -0.262756D+02  0.887889D+01
      4  -0.470696D+02  0.126111D+02  0.625101D+01 -0.553348D+02  0.142246D+00
      5  -0.346931D+02  0.599731D+01 -0.120192D+02 -0.378714D+02 -0.790069D+01
      6  -0.978986D+01 -0.311389D+01  0.364534D+00  0.470781D-01  0.575041D+00
               136           137           138           139           140 
      1   0.141065D+03 -0.134515D+03  0.384969D+02 -0.398024D+02  0.612807D+02
      2  -0.820966D+02  0.559158D+02 -0.166874D+02  0.306892D+02 -0.856493D+02
      3  -0.589684D+02  0.785993D+02 -0.218095D+02  0.911320D+01  0.243686D+02
      4  -0.103835D+02  0.131484D+03 -0.496177D+01  0.615237D+02  0.743570D+02
      5   0.108517D+02  0.948780D+02 -0.493438D+01  0.185567D+02  0.513805D+02
      6   0.658463D+01  0.429167D+01  0.793655D+01  0.239634D+02 -0.964303D+00
               141           142           143           144           145 
      1   0.586066D+00  0.586599D+01 -0.250031D+02  0.212594D+02  0.312841D+02
      2   0.147258D+01 -0.674703D+01 -0.465383D+01 -0.243787D+02  0.481406D+01
      3  -0.205865D+01  0.881043D+00  0.296569D+02  0.311934D+01 -0.360981D+02
      4   0.260771D+02  0.931750D+01  0.599482D+02  0.149869D+02  0.516998D+02
      5   0.100771D+02  0.313963D+02  0.502158D+02  0.139038D+02 -0.164443D+02
      6   0.703247D+01  0.177700D+02  0.183947D+01 -0.221591D+00  0.141551D+02
               146           147           148           149           150 
      1  -0.275035D+02  0.681241D+00 -0.780610D+01  0.239541D+02 -0.322841D+02
      2   0.149936D+02 -0.251145D+01 -0.109282D+02  0.371124D+02  0.299809D+02
      3   0.125099D+02  0.183021D+01  0.187344D+02 -0.610665D+02  0.230321D+01
      4   0.513420D+02  0.198554D+02 -0.654308D+02 -0.121900D+03 -0.427228D+02
      5   0.127602D+02  0.145409D+02 -0.348662D+02 -0.813738D+02 -0.303051D+02
      6   0.918027D+01  0.203902D+02 -0.463963D+02 -0.637604D+01 -0.274101D+02
               151           152           153           154           155 
      1  -0.234069D+02 -0.144300D+02  0.393615D+01 -0.472451D+02  0.162081D+02
      2  -0.118013D+02  0.226896D+02 -0.201296D+02 -0.825193D+01  0.424790D+02
      3   0.352082D+02 -0.825963D+01  0.161934D+02  0.554970D+02 -0.586872D+02
      4  -0.415186D+02 -0.272327D+02  0.357450D+01 -0.807238D+02 -0.466394D+02
      5   0.224072D+02 -0.212358D+02  0.224305D+02 -0.194370D+02 -0.529684D+02
      6   0.685695D+01  0.349500D+01  0.765745D+01 -0.526667D+02 -0.274483D+01
               156           157           158           159           160 
      1  -0.407719D+02  0.542221D+02 -0.103447D+02  0.347081D+02 -0.248149D+01
      2   0.216093D+02 -0.218799D+02  0.503782D+00 -0.328054D+02 -0.213273D+02
      3   0.191626D+02 -0.323422D+02  0.984088D+01 -0.190266D+01  0.238088D+02
      4  -0.601889D+02  0.672010D+02  0.714233D+02  0.107312D+02 -0.318576D+02
      5  -0.288269D+02  0.155153D+02  0.216316D+02  0.175357D+02  0.496351D+01
      6  -0.388798D+02  0.146928D+02 -0.155253D+02  0.105291D+02 -0.168681D+02
               161           162           163           164           165 
      1  -0.126634D+02 -0.302342D+02 -0.941513D+02 -0.843431D+02 -0.369308D+01
      2  -0.130604D+02 -0.640752D+01  0.631274D+02  0.951347D+02  0.556329D+01
      3   0.257238D+02  0.366417D+02  0.310239D+02 -0.107915D+02 -0.187021D+01
      4  -0.305018D+02 -0.411380D+01  0.626657D+02 -0.144934D+02 -0.149907D+02
      5   0.124383D+02  0.135215D+02 -0.541356D+02 -0.594715D+02 -0.581083D+00
      6   0.210886D+02  0.407792D+01 -0.945285D+01  0.268886D+02  0.189743D+01
               166           167           168           169           170 
      1   0.801888D+02  0.462359D+02  0.126416D+01  0.252708D+02  0.125163D+02
      2  -0.603686D+02 -0.917115D+02  0.325585D+01 -0.204696D+02 -0.199677D+02
      3  -0.198202D+02  0.454756D+02 -0.452000D+01 -0.480118D+01  0.745142D+01
      4  -0.179613D+02  0.893786D+02 -0.875912D+01 -0.124173D+01  0.281465D+02
      5   0.319529D+02  0.750647D+02 -0.578504D+01  0.651833D+01  0.269681D+02
      6  -0.186028D+02 -0.935334D+01 -0.240447D+01 -0.106133D+01 -0.172858D+01
               171           172           173           174           175 
      1  -0.683276D+01  0.141667D+03  0.232574D+02 -0.432659D+01 -0.482976D+02
      2  -0.362176D+01 -0.897542D+02 -0.305327D+02  0.901191D+01  0.408726D+02
      3   0.104545D+02 -0.519126D+02  0.727534D+01 -0.468532D+01  0.742495D+01
      4   0.265762D+01 -0.848396D+02 -0.669497D+01 -0.649727D+01  0.325379D+01
      5   0.264439D+01  0.463684D+02  0.444380D+02 -0.934693D+01 -0.531710D+02
      6  -0.185913D+01 -0.171327D+02 -0.590341D+01 -0.231817D+01  0.123113D+01
               176           177           178           179           180 
      1  -0.106708D+03 -0.699360D+01  0.244018D+01 -0.248705D+02 -0.176455D+01
      2   0.164907D+03  0.143028D+02  0.725003D+01  0.416351D+02  0.274587D+01
      3  -0.581987D+02 -0.730923D+01 -0.969021D+01 -0.167645D+02 -0.981320D+00
      4  -0.104078D+03 -0.958536D+01 -0.742211D+01 -0.231004D+02 -0.199727D+02
      5  -0.106180D+03 -0.901820D-01  0.178903D+01 -0.398714D+02 -0.107378D+02
      6   0.440992D+02  0.270746D+01 -0.141155D+02  0.259973D+02 -0.106612D+00
               181           182           183           184           185 
      1  -0.848797D+02  0.962553D+01  0.400288D+01 -0.144271D+03  0.283777D+02
      2   0.475221D+02 -0.158915D+02 -0.648407D+01  0.105037D+03 -0.210819D+02
      3   0.373577D+02  0.626594D+01  0.248118D+01  0.392342D+02 -0.729580D+01
      4   0.579380D+02  0.163804D+02  0.143863D+02  0.445569D+02 -0.281365D+02
      5  -0.283275D+02 -0.102513D+02  0.114181D+02 -0.343353D+02 -0.177450D+02
      6   0.179608D+02 -0.669406D+01 -0.201094D+01  0.269691D+02 -0.131005D+02
               186           187           188           189           190 
      1  -0.115596D+02 -0.728446D+02  0.237640D+02  0.182627D+02 -0.810193D+01
      2   0.426152D+01  0.517728D+02 -0.235638D+02 -0.159286D+02  0.175967D+01
      3   0.729805D+01  0.210719D+02 -0.200149D+00 -0.233414D+01  0.634226D+01
      4   0.328948D+02  0.143353D+02  0.121348D+02 -0.166179D+02 -0.437043D+00
      5  -0.179869D+02  0.297450D+02 -0.492038D+02 -0.166740D+02 -0.142337D+02
      6   0.137712D+02 -0.322989D+01  0.167110D+02 -0.163451D+01  0.252545D+01
               191           192           193           194           195 
      1   0.460206D+02 -0.240866D+02  0.162209D+03 -0.991029D+02 -0.596773D+01
      2  -0.376917D+02  0.123289D+02 -0.103440D+03  0.701100D+02  0.132223D+02
      3  -0.832894D+01  0.117577D+02 -0.587694D+02  0.289929D+02 -0.725460D+01
      4   0.156481D+02  0.518007D+01 -0.782751D+02  0.587710D+02 -0.287320D+02
      5  -0.482637D+01  0.151593D+02 -0.176471D+02  0.391559D+02  0.390974D+01
      6  -0.127701D+01  0.110720D+01 -0.199012D+02  0.892974D+01 -0.428726D+01
               196           197           198           199           200 
      1   0.858116D+01 -0.315735D+02  0.215613D+02  0.402123D+02  0.527834D+02
      2  -0.126365D+02  0.194836D+02 -0.234676D+02 -0.418930D+02 -0.517814D+02
      3   0.405534D+01  0.120899D+02  0.190621D+01  0.168071D+01 -0.100201D+01
      4  -0.442508D+02  0.889723D+01 -0.112730D+02 -0.316775D+02 -0.139961D+02
      5   0.493405D+02  0.220288D+02  0.241236D+02  0.275636D+02  0.350064D+02
      6  -0.167164D+02  0.280013D+01 -0.129480D+02  0.727016D+01 -0.177853D+02
               201           202           203           204           205 
      1  -0.298839D+01  0.250171D+01  0.288842D+02  0.877961D+01  0.258804D+01
      2  -0.190597D+01  0.218564D+02 -0.404706D+02 -0.181999D+02  0.100139D+02
      3   0.489436D+01 -0.243581D+02  0.115863D+02  0.942033D+01 -0.126019D+02
      4   0.121691D+02 -0.132745D+03 -0.265621D+02  0.284759D+02 -0.540063D+02
      5   0.335403D+01  0.447236D+02  0.762122D+01 -0.878742D+01  0.199546D+02
      6  -0.617316D+01  0.256757D+02 -0.844522D+01 -0.394966D+01  0.997649D+01
               206           207           208           209           210 
      1   0.752133D+01  0.360894D+01  0.959705D+01  0.119312D+03  0.173071D+02
      2  -0.699117D+01 -0.118780D+02 -0.128350D+02 -0.145319D+03 -0.989364D+01
      3  -0.530152D+00  0.826910D+01  0.323795D+01  0.260061D+02 -0.741341D+01
      4  -0.599826D+01  0.891226D+01 -0.484730D+02  0.327845D+02  0.199468D+02
      5  -0.370097D+00  0.135466D+01  0.454155D+02  0.504804D+02  0.136582D+02
      6  -0.759794D+00 -0.634222D+01  0.448259D+01 -0.341701D+02 -0.300471D+02
               211           212           213           214           215 
      1   0.117059D+02  0.825757D+02  0.622885D+01 -0.659833D+01  0.245272D+02
      2  -0.240833D+02 -0.120773D+03 -0.104390D+02  0.209757D+02 -0.449918D+02
      3   0.123774D+02  0.381975D+02  0.421013D+01 -0.143773D+02  0.204646D+02
      4   0.860613D+00  0.574472D+02  0.250011D+02 -0.549797D+01  0.273014D+02
      5   0.248502D+02  0.775411D+02  0.371243D+01  0.349096D+02  0.121589D+02
      6   0.155329D+02 -0.448589D+02 -0.631529D+01 -0.363340D+02  0.544213D+01
               216           217           218           219           220 
      1  -0.450427D+01  0.166231D+02 -0.892531D+02 -0.137244D+02 -0.208316D+02
      2  -0.265003D+01 -0.307287D+02  0.114114D+03  0.130348D+02  0.246763D+02
      3   0.715430D+01  0.141056D+02 -0.248613D+02  0.689549D+00 -0.384466D+01
      4  -0.246824D+02  0.117283D+03 -0.469600D+02 -0.418693D+02 -0.100756D+02
      5  -0.870094D+01 -0.539104D+02 -0.572157D+02 -0.771049D+01  0.135365D+02
      6   0.859274D+01 -0.236390D+02  0.300382D+02  0.275307D+02  0.358260D+01
               221           222           223           224           225 
      1  -0.142032D+02  0.167614D+02 -0.113329D+02  0.103056D+02 -0.250676D+02
      2   0.243542D+02 -0.263840D+02  0.531814D+01 -0.366492D+02  0.128301D+02
      3  -0.101510D+02  0.962267D+01  0.601473D+01  0.263436D+02  0.122375D+02
      4  -0.264523D+02  0.614361D+01 -0.998114D+01 -0.672991D-01  0.221135D+01
      5  -0.538747D+01 -0.563677D+01  0.597976D+01 -0.149015D+02 -0.117867D+02
      6  -0.243471D+02  0.496552D+01  0.200480D+02  0.429556D+02  0.163931D+02
               226           227           228           229           230 
      1  -0.682347D+02  0.130257D+02  0.124268D+02  0.911934D+01 -0.470794D+02
      2   0.668388D+02 -0.136652D+02 -0.140405D+02 -0.333043D+02  0.649766D+02
      3   0.139583D+01  0.639435D+00  0.161368D+01  0.241849D+02 -0.178971D+02
      4  -0.212894D+02  0.408600D+02  0.256577D+02  0.137293D+03  0.250776D+02
      5   0.170494D+02  0.125306D+02 -0.733760D+01 -0.561827D+02 -0.170249D+02
      6   0.168542D+02 -0.632850D+01 -0.530925D+01 -0.297025D+02  0.135517D+02
               231           232           233           234           235 
      1  -0.657680D+01  0.978371D+01 -0.658750D+01 -0.188719D+02  0.507886D+02
      2   0.256801D+02 -0.174330D+02  0.979603D+01  0.180038D+02 -0.435208D+02
      3  -0.191033D+02  0.764934D+01 -0.320854D+01  0.868163D+00 -0.726782D+01
      4  -0.317897D+02  0.484416D+02  0.730333D+01 -0.131603D+02 -0.366866D+02
      5   0.964969D+01 -0.231698D+02 -0.425567D+01  0.810642D+01 -0.337270D+01
      6   0.686880D+01 -0.122576D+02  0.172841D+02  0.777510D+01 -0.167033D+01
               236           237           238           239           240 
      1  -0.225608D+01 -0.142711D+02 -0.293404D+01  0.339234D+01  0.160646D+02
      2  -0.130248D+02  0.703845D+01  0.546861D+01  0.213222D+01 -0.218595D+02
      3   0.152809D+02  0.723269D+01 -0.253456D+01 -0.552456D+01  0.579489D+01
      4  -0.673228D+02 -0.141718D+02  0.318077D+02  0.151958D+02 -0.100909D+02
      5  -0.118303D+02 -0.343527D+01  0.307798D+01 -0.927946D+01  0.752038D+00
      6   0.112992D+02 -0.778097D+00 -0.846869D+01 -0.262654D+02  0.703290D+01
               241           242           243           244           245 
      1  -0.858632D+01  0.194070D+02 -0.911932D+01 -0.649582D+01 -0.283415D+02
      2   0.535407D+01 -0.262099D+02  0.770365D+01 -0.325372D+01  0.365098D+02
      3   0.323226D+01  0.680289D+01  0.141568D+01  0.974954D+01 -0.816827D+01
      4   0.259991D+02  0.936950D+01  0.143636D+02  0.301572D+02  0.393430D+02
      5   0.977381D+01  0.118386D+02  0.110482D+02 -0.143371D+02  0.653541D+01
      6   0.763897D+01  0.201025D+02  0.129695D+02 -0.898959D+00 -0.109773D+01
               246           247           248           249           250 
      1  -0.450537D+01  0.499955D+02 -0.199886D+02 -0.207349D+02  0.378949D+02
      2   0.838132D+01 -0.525516D+02  0.515928D+01  0.169339D+02 -0.371318D+02
      3  -0.387594D+01  0.255611D+01  0.148293D+02  0.380093D+01 -0.763140D+00
      4   0.460987D+01 -0.232627D+02 -0.495214D+02 -0.250702D+02 -0.217747D+02
      5   0.222224D+02 -0.409823D+02 -0.148455D+02  0.648679D+01  0.145598D+02
      6   0.141901D+02 -0.221172D+02 -0.124605D+01  0.434842D+01  0.176806D+02
               251           252           253           254           255 
      1   0.114394D+01 -0.857012D+01  0.676868D+01  0.204972D+02 -0.503867D+01
      2  -0.119822D+02  0.215994D+01 -0.158978D+02  0.351952D+01  0.592785D+01
      3   0.108382D+02  0.641018D+01  0.912909D+01 -0.240168D+02 -0.889174D+00
      4  -0.421588D+02  0.116494D+02  0.802154D+02  0.226089D+02 -0.889001D+01
      5   0.294515D+01 -0.789663D+01 -0.169301D+02  0.536306D+01 -0.366572D+01
      6   0.182827D+02 -0.108744D+02 -0.569400D+01  0.652208D+01  0.598915D+01
               256           257           258           259           260 
      1  -0.294073D+02  0.920112D+01  0.103921D+02 -0.717162D+01 -0.148678D+01
      2   0.350237D+02 -0.367213D+00  0.161881D+01  0.145396D+02  0.402903D+01
      3  -0.561636D+01 -0.883391D+01 -0.120109D+02 -0.736803D+01 -0.254225D+01
      4  -0.448468D+00  0.491835D+02  0.163271D+02 -0.193818D+02  0.141040D+02
      5   0.707975D+01  0.160624D+02  0.992261D+01  0.143744D+02  0.831456D+01
      6   0.133058D+02 -0.353934D+01 -0.316978D+01  0.173754D+02  0.237746D+01
               261           262           263           264           265 
      1   0.322778D+01 -0.340723D+02 -0.136460D+02  0.107349D+02 -0.113496D+02
      2  -0.689068D+01  0.453250D+02 -0.253391D+01 -0.218946D+02  0.708229D+01
      3   0.366290D+01 -0.112527D+02  0.161800D+02  0.111598D+02  0.426735D+01
      4   0.145782D+02 -0.809164D+02 -0.274632D+02  0.543451D+01  0.123725D+02
      5  -0.918491D+00  0.362381D+02 -0.220443D+02 -0.136654D+02  0.144055D+02
      6  -0.123560D+02  0.537794D+01  0.315866D+01 -0.379978D+01 -0.235029D+01
               266           267           268           269           270 
      1   0.941048D+01  0.661066D+01 -0.102379D+00  0.878510D+01 -0.885537D+01
      2  -0.174048D+02 -0.621864D+01 -0.116056D+01 -0.458422D+01 -0.103633D+02
      3   0.799432D+01 -0.392021D+00  0.126293D+01 -0.420088D+01  0.192186D+02
      4  -0.105774D+02 -0.334547D+00  0.160339D+02  0.843375D+01 -0.847695D+01
      5   0.416800D+01 -0.816714D+01  0.387673D+01 -0.548198D+01 -0.111690D+00
      6  -0.769430D+01  0.261484D+00 -0.197601D+01  0.831118D+00 -0.885412D+01
               271           272           273           274           275 
      1  -0.957464D+01  0.213800D+02 -0.160850D+01  0.154152D+02 -0.355543D+02
      2   0.307671D+02 -0.507618D+02 -0.588090D+00 -0.362834D+02  0.764510D+02
      3  -0.211924D+02  0.293818D+02  0.219659D+01  0.208681D+02 -0.408967D+02
      4  -0.330918D+02  0.432890D+02  0.190193D+01  0.305225D+02 -0.471911D+02
      5  -0.262624D+01  0.413240D+01  0.330712D+01  0.578671D+01 -0.781950D+01
      6  -0.351611D+01  0.544740D+01 -0.699590D+01 -0.395962D+01  0.335727D+01
               276           277           278           279           280 
      1  -0.459985D+01  0.203443D+01 -0.865886D+01 -0.185990D+01 -0.166906D+01
      2   0.694446D+01 -0.631305D+01  0.140587D+02  0.238770D+01  0.535797D+01
      3  -0.234461D+01  0.427863D+01 -0.539983D+01 -0.527794D+00 -0.368891D+01
      4  -0.556230D+01 -0.393263D+01 -0.482080D+00 -0.657632D+01  0.778724D+01
      5  -0.253286D+01  0.277918D+01 -0.377774D+01 -0.739274D-01  0.146015D+01
      6   0.491565D+01 -0.501301D+01  0.657364D+01  0.156980D+01  0.888264D+01
               281           282           283           284           285 
      1  -0.815663D+01 -0.350170D+01 -0.675155D+01 -0.587426D+02 -0.294561D+02
      2   0.114583D+02  0.522814D+01  0.970421D+01  0.926790D+02  0.397168D+02
      3  -0.330163D+01 -0.172644D+01 -0.295267D+01 -0.339364D+02 -0.102607D+02
      4   0.140200D+02  0.992125D+01  0.756121D+01  0.247003D+02  0.999527D+01
      5   0.374554D+01  0.272917D+01  0.167663D+01 -0.114265D+01 -0.242347D+00
      6   0.921224D+01  0.104966D+02  0.541953D+01  0.488221D+02  0.323191D+02
               286           287           288           289           290 
      1  -0.544952D+01 -0.318642D+02 -0.213908D+02  0.103396D+03  0.245304D+02
      2   0.115903D+02  0.455995D+02  0.263408D+02 -0.646362D+02 -0.132464D+02
      3  -0.614077D+01 -0.137352D+02 -0.494999D+01 -0.387599D+02 -0.112840D+02
      4   0.104138D+02  0.182754D+02  0.119486D+02  0.622183D+02  0.239705D+02
      5   0.189569D+01  0.179424D+01  0.332356D+01  0.556875D+02  0.139741D+02
      6   0.451640D+01  0.347862D+02  0.229737D+02  0.166392D+02  0.668298D+01
               291           292           293           294           295 
      1   0.373152D+02  0.608821D+01  0.144943D+02  0.457057D+01  0.360581D+02
      2  -0.278955D+02 -0.154441D+01 -0.549457D+01 -0.294655D+01 -0.217025D+02
      3  -0.941970D+01 -0.454380D+01 -0.899972D+01 -0.162401D+01 -0.143556D+02
      4   0.241954D+02  0.240194D+02  0.125367D+02  0.115411D+02  0.275661D+02
      5   0.318342D+02  0.119328D+02  0.653434D+01  0.790798D+01  0.244069D+02
      6   0.962504D+01  0.942453D+01  0.417610D+01  0.647290D+01  0.765930D+01
               296           297           298           299           300 
      1   0.839337D+01  0.156156D+02 -0.280790D-01  0.510527D+01 -0.101653D+01
      2  -0.493368D+01 -0.115732D+02  0.540264D+01  0.157686D+01  0.178665D+01
      3  -0.345969D+01 -0.404247D+01 -0.537456D+01 -0.668213D+01 -0.770112D+00
      4   0.954700D+01  0.124115D+02  0.192396D+02  0.253213D+02  0.149335D+02
      5   0.920906D+01  0.157753D+02  0.911201D+01  0.128291D+02  0.102573D+02
      6   0.529357D+01  0.534393D+01  0.103870D+02  0.134954D+02  0.867582D+01
               301           302           303           304           305 
      1  -0.595125D+01 -0.343215D+02 -0.166986D+02 -0.551992D+01 -0.978946D+01
      2   0.173422D+02  0.535404D+02  0.203831D+02  0.798353D+01  0.211307D+02
      3  -0.113910D+02 -0.192189D+02 -0.368449D+01 -0.246361D+01 -0.113412D+02
      4   0.331184D+02  0.669495D+02  0.332919D+02  0.212953D+02  0.395900D+02
      5   0.119290D+02  0.255194D+02  0.169398D+02  0.113816D+02  0.141203D+02
      6   0.191239D+02  0.502499D+02  0.307218D+02  0.136511D+02  0.268080D+02
               306           307           308           309           310 
      1  -0.885100D+01  0.752869D+02 -0.432196D+02 -0.375969D+01 -0.425303D+02
      2   0.947796D+01 -0.278281D+02  0.137661D+02  0.206551D+01  0.762653D+01
      3  -0.626959D+00 -0.474588D+02  0.294536D+02  0.169418D+01  0.349038D+02
      4   0.206406D+02 -0.746848D+02  0.508986D+02  0.206400D+01  0.654303D+02
      5   0.128841D+02 -0.995875D+01  0.236864D+01  0.796404D+01  0.991244D+01
      6   0.214770D+02 -0.114212D+01  0.180179D+01 -0.363677D+01 -0.107415D+01
               311           312           313           314           315 
      1   0.297484D+02  0.445900D+01 -0.522615D+01  0.221037D+01  0.206696D+01
      2   0.163464D+01 -0.197027D+01  0.777965D+00  0.168205D+01 -0.496961D+00
      3  -0.313830D+02 -0.248873D+01  0.444818D+01 -0.389242D+01 -0.157000D+01
      4  -0.603672D+02 -0.567964D+01  0.109326D+02 -0.120595D+02 -0.384644D+01
      5  -0.121186D+02 -0.749614D+01  0.638640D+01 -0.504349D+00 -0.964171D+00
      6   0.224484D+01  0.453504D+01 -0.274278D+01  0.126910D+01  0.202899D+01
               316           317           318           319           320 
      1   0.159129D+03  0.861963D+01  0.305300D+02  0.210015D+02  0.115248D+02
      2  -0.982046D+02 -0.561047D+01 -0.215854D+02 -0.145244D+02 -0.719658D+01
      3  -0.609245D+02 -0.300916D+01 -0.894464D+01 -0.647711D+01 -0.432822D+01
      4   0.866529D+00  0.725151D+01 -0.119482D+01  0.185364D+02  0.574929D+01
      5   0.417757D+02  0.179810D+01  0.197414D+02  0.115874D+02  0.836447D+01
      6  -0.645464D+01  0.846929D+00 -0.234903D+01  0.162625D+01 -0.338748D+00
               321           322           323           324           325 
      1   0.743288D+01  0.435703D+02  0.473717D+01  0.118821D+02  0.178461D+02
      2  -0.599992D+01 -0.295016D+02 -0.229574D+01 -0.869845D+01  0.125531D+02
      3  -0.143296D+01 -0.140687D+02 -0.244143D+01 -0.318368D+01 -0.303992D+02
      4   0.407018D+01  0.396130D+01  0.289012D+01  0.385329D+00 -0.679292D+02
      5   0.518123D+01  0.154218D+02 -0.246050D+01  0.763662D+01 -0.151486D+02
      6   0.109944D+01 -0.102550D+01  0.205617D+01  0.786199D+00  0.111838D+02
               326           327           328           329           330 
      1  -0.502198D+01 -0.272333D+01  0.450712D+01 -0.827790D+01 -0.230240D+01
      2  -0.226952D+02 -0.282105D+01 -0.275477D+02  0.404533D+02  0.781804D+01
      3   0.277172D+02  0.554438D+01  0.230406D+02 -0.321754D+02 -0.551564D+01
      4   0.606528D+02  0.161176D+02  0.512529D+02 -0.655508D+02 -0.170584D+02
      5   0.146448D+02  0.993087D+01  0.144334D+02 -0.131977D+02 -0.819420D+01
      6  -0.123267D+02 -0.857750D+01 -0.149943D+02  0.162275D+02  0.109101D+02
               331           332           333           334           335 
      1   0.743111D+00 -0.416987D+00  0.213426D+00 -0.785966D+01 -0.178879D+02
      2  -0.100477D+02  0.649096D+01  0.311552D+01  0.116858D+02  0.236921D+02
      3   0.930454D+01 -0.607397D+01 -0.332894D+01 -0.382617D+01 -0.580423D+01
      4   0.163484D+02 -0.170349D+02 -0.695851D+01  0.455880D+01  0.157074D+02
      5   0.513353D+01 -0.716400D+01 -0.437842D+01 -0.938740D+00  0.229693D+01
      6  -0.251474D+01  0.902176D+01  0.423117D+01  0.444860D+01  0.784561D+01
               336           337           338           339           340 
      1  -0.458461D+01 -0.367583D+01 -0.851593D+02 -0.245613D+02 -0.499440D+00
      2   0.545152D+01  0.379178D+01  0.126585D+03  0.314480D+02  0.286772D+01
      3  -0.866911D+00 -0.115947D+00 -0.414261D+02 -0.688672D+01 -0.236828D+01
      4   0.322933D+01  0.642178D+01 -0.129394D+02 -0.381222D+01  0.240848D+00
      5   0.229645D+01  0.103466D+01 -0.588870D+01 -0.320848D+01  0.309955D+01
      6   0.391084D+01  0.269230D+01  0.477668D+02  0.222532D+02 -0.281519D+01
               341           342           343           344           345 
      1  -0.293043D+02 -0.983669D+01 -0.382783D+01 -0.688439D+01 -0.140875D+01
      2   0.427485D+02  0.123885D+02  0.128099D+02  0.189373D+02  0.387379D+01
      3  -0.134442D+02 -0.255179D+01 -0.898202D+01 -0.120529D+02 -0.246504D+01
      4  -0.685577D+01 -0.132995D+01  0.143583D+02  0.264780D+02  0.640639D+01
      5  -0.108582D+01 -0.294904D+00  0.235684D+01  0.512533D+01  0.381472D+01
      6   0.170340D+02  0.110356D+02  0.490676D+01  0.458743D+01  0.290403D+01
               346           347           348           349           350 
      1  -0.139330D+02 -0.571706D+02 -0.155698D+02 -0.368990D+01 -0.205694D+02
      2   0.272001D+02  0.983366D+02  0.232062D+02  0.612749D+01  0.314560D+02
      3  -0.132671D+02 -0.411660D+02 -0.763638D+01 -0.243760D+01 -0.108866D+02
      4   0.224923D+02  0.522183D+02  0.144986D+02  0.705687D+01  0.161594D+02
      5   0.603476D+01  0.139270D+02  0.637922D+01  0.198477D+01  0.500736D+01
      6   0.932785D+01  0.286542D+02  0.163182D+02  0.432194D+01  0.146464D+02
               351           352           353           354           355 
      1  -0.870120D+01  0.508422D+02  0.190898D+02 -0.851270D+00  0.106302D+02
      2   0.112773D+02 -0.138177D+02  0.564869D+00  0.595096D+00  0.510790D+01
      3  -0.257609D+01 -0.370245D+02 -0.196546D+02  0.256173D+00 -0.157381D+02
      4   0.562594D+01  0.724183D+02  0.406324D+02 -0.177210D+01  0.324998D+02
      5   0.293738D+01 -0.282035D+01 -0.936899D+00  0.716192D+01  0.240620D+01
      6   0.883207D+01 -0.592486D+01 -0.349225D+01  0.507834D+01  0.653729D+00
               356           357           358           359           360 
      1   0.609579D+01  0.396940D+00 -0.281752D+01 -0.718904D+00  0.224025D+01
      2   0.701444D+01 -0.277211D+00  0.421168D+01  0.210844D+01 -0.357688D+00
      3  -0.131102D+02 -0.119729D+00 -0.139416D+01 -0.138953D+01 -0.188256D+01
      4   0.262727D+02  0.190120D+01  0.184972D+01  0.408038D+01  0.352725D+01
      5   0.104362D+01  0.195905D+01  0.291776D+01  0.249170D+01  0.169389D+01
      6  -0.125790D+01  0.185448D+01  0.114791D+01  0.191649D+01  0.113533D+01
               361           362           363           364           365 
      1   0.127267D+03 -0.170158D+02 -0.241573D+02 -0.106589D+02  0.206138D+02
      2  -0.771250D+02  0.969190D+01  0.200031D+02  0.679601D+01 -0.140281D+02
      3  -0.501417D+02  0.732391D+01  0.415421D+01  0.386289D+01 -0.658563D+01
      4  -0.142358D+02  0.327991D+02  0.599909D+01  0.655455D+02 -0.203864D+02
      5  -0.496033D+02  0.826296D+01  0.431310D+02  0.460636D+01 -0.271836D+02
      6   0.180796D+01 -0.867877D+01 -0.128059D+01 -0.222981D+02  0.678762D+01
               366           367           368           369           370 
      1  -0.620176D+00  0.258007D+01  0.492822D-01  0.558743D+01 -0.434727D+01
      2  -0.496495D+01  0.215965D+02 -0.394139D+01 -0.465945D+02  0.184787D+01
      3   0.558512D+01 -0.241766D+02  0.389211D+01  0.410071D+02  0.249941D+01
      4  -0.264204D+02  0.103796D+02 -0.139839D+02 -0.254961D+01 -0.283715D+01
      5  -0.992611D+01  0.633349D+02 -0.116390D+02 -0.534104D+02  0.484381D+01
      6   0.238524D+02 -0.892017D+00  0.165797D+02 -0.402646D+01  0.232747D+00
               371           372           373           374           375 
      1  -0.224995D+01  0.734765D+00 -0.584366D+01 -0.702696D+01 -0.854484D+00
      2  -0.978138D+00 -0.196569D+01  0.317873D+01 -0.142318D+01 -0.467326D+01
      3   0.322809D+01  0.123093D+01  0.266493D+01  0.845014D+01  0.552774D+01
      4  -0.181710D+01  0.902705D+00 -0.165750D+01 -0.408497D+01 -0.671587D+00
      5   0.507853D+01 -0.211666D+01  0.468806D+01  0.543345D+01 -0.386462D+01
      6  -0.511862D+00 -0.403151D+00 -0.271647D+00  0.157672D+01  0.951635D+00
               376           377           378 
      1   0.494699D+00 -0.406745D+00 -0.494409D+01
      2   0.331345D-01 -0.362352D+01 -0.922901D+00
      3  -0.527834D+00  0.403027D+01  0.586699D+01
      4   0.200965D+01 -0.974571D+00 -0.111707D+01
      5   0.147276D+00 -0.108538D+01  0.590638D+00
      6  -0.467861D+00  0.133265D+01  0.232348D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 19:33:15 2021, MaxMem= 16106127360 cpu:         1367689.8 elap:           85749.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -483.95279 -62.85713 -56.73303 -56.73008 -56.73004
 Alpha  occ. eigenvalues --  -10.50297 -10.46782 -10.46713 -10.46632 -10.46414
 Alpha  occ. eigenvalues --  -10.46236 -10.46139 -10.46100 -10.45907 -10.45730
 Alpha  occ. eigenvalues --  -10.45675 -10.45583 -10.45378 -10.45344 -10.45275
 Alpha  occ. eigenvalues --  -10.45267 -10.45255 -10.45160 -10.45105 -10.45016
 Alpha  occ. eigenvalues --  -10.44835 -10.44748 -10.44391 -10.44316 -10.44225
 Alpha  occ. eigenvalues --  -10.44115  -8.86506  -6.73596  -6.72638  -6.72628
 Alpha  occ. eigenvalues --   -2.85027  -2.84701  -2.84695  -2.83874  -2.83873
 Alpha  occ. eigenvalues --   -1.05455  -1.03494  -1.01814  -0.99614  -0.97367
 Alpha  occ. eigenvalues --   -0.95074  -0.94357  -0.92868  -0.91057  -0.89639
 Alpha  occ. eigenvalues --   -0.88208  -0.87069  -0.85486  -0.84851  -0.78242
 Alpha  occ. eigenvalues --   -0.77655  -0.75540  -0.74960  -0.74454  -0.73470
 Alpha  occ. eigenvalues --   -0.70649  -0.68922  -0.66523  -0.65581  -0.63937
 Alpha  occ. eigenvalues --   -0.63184  -0.62132  -0.60882  -0.59382  -0.58291
 Alpha  occ. eigenvalues --   -0.57306  -0.56933  -0.55896  -0.55416  -0.54918
 Alpha  occ. eigenvalues --   -0.54298  -0.53766  -0.53584  -0.53398  -0.52815
 Alpha  occ. eigenvalues --   -0.51760  -0.50411  -0.50165  -0.49338  -0.48391
 Alpha  occ. eigenvalues --   -0.48300  -0.47472  -0.46555  -0.45206  -0.44887
 Alpha  occ. eigenvalues --   -0.44367  -0.42897  -0.42467  -0.41971  -0.40249
 Alpha  occ. eigenvalues --   -0.40049  -0.38773  -0.38725  -0.35614  -0.32745
 Alpha  occ. eigenvalues --   -0.32400  -0.29805  -0.29678
 Alpha virt. eigenvalues --   -0.01560  -0.01168  -0.00965  -0.00905  -0.00295
 Alpha virt. eigenvalues --   -0.00138  -0.00084   0.00299   0.01070   0.01190
 Alpha virt. eigenvalues --    0.01450   0.01773   0.02256   0.02621   0.02827
 Alpha virt. eigenvalues --    0.03150   0.03317   0.04090   0.04240   0.04287
 Alpha virt. eigenvalues --    0.04627   0.04832   0.05457   0.05535   0.06082
 Alpha virt. eigenvalues --    0.06347   0.06572   0.06903   0.07351   0.07708
 Alpha virt. eigenvalues --    0.07844   0.08393   0.08677   0.09263   0.09479
 Alpha virt. eigenvalues --    0.09699   0.09804   0.10032   0.10408   0.10455
 Alpha virt. eigenvalues --    0.10494   0.10709   0.10941   0.11270   0.11454
 Alpha virt. eigenvalues --    0.11561   0.11742   0.11918   0.12013   0.12223
 Alpha virt. eigenvalues --    0.12352   0.12537   0.12741   0.13030   0.13159
 Alpha virt. eigenvalues --    0.13355   0.13528   0.13602   0.14085   0.14284
 Alpha virt. eigenvalues --    0.14683   0.14810   0.15313   0.15401   0.15706
 Alpha virt. eigenvalues --    0.16247   0.16329   0.16569   0.16790   0.17243
 Alpha virt. eigenvalues --    0.17571   0.17760   0.18292   0.18562   0.18694
 Alpha virt. eigenvalues --    0.18818   0.19139   0.19578   0.19683   0.19909
 Alpha virt. eigenvalues --    0.20556   0.21274   0.21518   0.21856   0.22139
 Alpha virt. eigenvalues --    0.22384   0.22494   0.23394   0.23511   0.23665
 Alpha virt. eigenvalues --    0.23780   0.24076   0.24864   0.25118   0.25237
 Alpha virt. eigenvalues --    0.25736   0.26056   0.26594   0.26698   0.26789
 Alpha virt. eigenvalues --    0.26926   0.27161   0.27356   0.27394   0.27754
 Alpha virt. eigenvalues --    0.27862   0.28262   0.28301   0.28380   0.28774
 Alpha virt. eigenvalues --    0.29204   0.29435   0.29466   0.29572   0.29706
 Alpha virt. eigenvalues --    0.30087   0.30310   0.30404   0.30838   0.30949
 Alpha virt. eigenvalues --    0.31183   0.31298   0.31457   0.31867   0.32225
 Alpha virt. eigenvalues --    0.32466   0.32699   0.33049   0.33129   0.33348
 Alpha virt. eigenvalues --    0.33593   0.33958   0.34092   0.34641   0.34815
 Alpha virt. eigenvalues --    0.35077   0.35266   0.35582   0.35743   0.35959
 Alpha virt. eigenvalues --    0.36129   0.36447   0.36553   0.36728   0.37180
 Alpha virt. eigenvalues --    0.37543   0.37953   0.38294   0.38487   0.38831
 Alpha virt. eigenvalues --    0.39182   0.39371   0.39568   0.39686   0.40083
 Alpha virt. eigenvalues --    0.40343   0.40900   0.40982   0.41263   0.41759
 Alpha virt. eigenvalues --    0.41851   0.42095   0.42792   0.42923   0.43093
 Alpha virt. eigenvalues --    0.43384   0.43481   0.43961   0.44192   0.44586
 Alpha virt. eigenvalues --    0.44926   0.45883   0.46040   0.46300   0.46649
 Alpha virt. eigenvalues --    0.46973   0.47107   0.47488   0.47750   0.48801
 Alpha virt. eigenvalues --    0.49572   0.49929   0.49941   0.50213   0.50738
 Alpha virt. eigenvalues --    0.50821   0.51393   0.51809   0.52262   0.52581
 Alpha virt. eigenvalues --    0.52749   0.53396   0.53562   0.53800   0.54407
 Alpha virt. eigenvalues --    0.54870   0.55175   0.55219   0.56059   0.56138
 Alpha virt. eigenvalues --    0.56250   0.56606   0.56846   0.57158   0.57226
 Alpha virt. eigenvalues --    0.57608   0.58294   0.58314   0.58444   0.58757
 Alpha virt. eigenvalues --    0.59160   0.59196   0.59608   0.59696   0.59947
 Alpha virt. eigenvalues --    0.60081   0.60315   0.60918   0.61165   0.61350
 Alpha virt. eigenvalues --    0.61695   0.61919   0.62114   0.62541   0.62795
 Alpha virt. eigenvalues --    0.63243   0.63381   0.63792   0.63935   0.64044
 Alpha virt. eigenvalues --    0.64195   0.64320   0.64650   0.64876   0.65025
 Alpha virt. eigenvalues --    0.65416   0.65648   0.65852   0.65908   0.66274
 Alpha virt. eigenvalues --    0.66290   0.66753   0.66948   0.67071   0.67252
 Alpha virt. eigenvalues --    0.67582   0.67965   0.68241   0.68725   0.69125
 Alpha virt. eigenvalues --    0.69283   0.69395   0.69435   0.70268   0.70721
 Alpha virt. eigenvalues --    0.70789   0.71137   0.71574   0.72388   0.72532
 Alpha virt. eigenvalues --    0.72676   0.73271   0.73821   0.74029   0.74622
 Alpha virt. eigenvalues --    0.75160   0.75586   0.75726   0.76258   0.76399
 Alpha virt. eigenvalues --    0.76717   0.76811   0.77296   0.77812   0.77935
 Alpha virt. eigenvalues --    0.78238   0.78823   0.79380   0.79672   0.79868
 Alpha virt. eigenvalues --    0.80415   0.80681   0.81021   0.81142   0.81799
 Alpha virt. eigenvalues --    0.82357   0.82530   0.82672   0.82844   0.83787
 Alpha virt. eigenvalues --    0.84078   0.84291   0.84328   0.84780   0.84905
 Alpha virt. eigenvalues --    0.85279   0.85720   0.85940   0.86012   0.86632
 Alpha virt. eigenvalues --    0.86948   0.87106   0.87955   0.88317   0.88496
 Alpha virt. eigenvalues --    0.88774   0.89259   0.89372   0.90082   0.90210
 Alpha virt. eigenvalues --    0.90537   0.91343   0.91434   0.91928   0.92157
 Alpha virt. eigenvalues --    0.92659   0.92934   0.93135   0.93255   0.93656
 Alpha virt. eigenvalues --    0.94192   0.94342   0.94920   0.95155   0.95495
 Alpha virt. eigenvalues --    0.96093   0.96701   0.96917   0.97431   0.97562
 Alpha virt. eigenvalues --    0.98214   0.98829   0.99482   0.99783   1.00753
 Alpha virt. eigenvalues --    1.01422   1.02763   1.03292   1.03827   1.05149
 Alpha virt. eigenvalues --    1.05408   1.06244   1.06995   1.07318   1.08041
 Alpha virt. eigenvalues --    1.08713   1.08938   1.09872   1.10295   1.10722
 Alpha virt. eigenvalues --    1.10985   1.11417   1.11706   1.12467   1.13498
 Alpha virt. eigenvalues --    1.14070   1.14608   1.15189   1.16293   1.17090
 Alpha virt. eigenvalues --    1.17589   1.18061   1.18826   1.19112   1.21061
 Alpha virt. eigenvalues --    1.21134   1.22063   1.22939   1.23248   1.24178
 Alpha virt. eigenvalues --    1.24429   1.24943   1.25226   1.26034   1.26845
 Alpha virt. eigenvalues --    1.28280   1.28533   1.28957   1.30781   1.31069
 Alpha virt. eigenvalues --    1.32220   1.32780   1.33100   1.33338   1.33833
 Alpha virt. eigenvalues --    1.35061   1.35319   1.35538   1.36101   1.36667
 Alpha virt. eigenvalues --    1.36744   1.37247   1.38690   1.39809   1.40160
 Alpha virt. eigenvalues --    1.40430   1.40520   1.41652   1.41914   1.42514
 Alpha virt. eigenvalues --    1.42683   1.43261   1.43610   1.43858   1.44117
 Alpha virt. eigenvalues --    1.44776   1.45064   1.45403   1.46108   1.46474
 Alpha virt. eigenvalues --    1.47215   1.47708   1.48448   1.49065   1.49292
 Alpha virt. eigenvalues --    1.49804   1.50395   1.50449   1.51613   1.51953
 Alpha virt. eigenvalues --    1.52961   1.53587   1.54248   1.54645   1.55106
 Alpha virt. eigenvalues --    1.56152   1.56247   1.56707   1.57043   1.57919
 Alpha virt. eigenvalues --    1.58629   1.59227   1.59522   1.59951   1.60498
 Alpha virt. eigenvalues --    1.60699   1.61196   1.61738   1.62339   1.63168
 Alpha virt. eigenvalues --    1.63431   1.64214   1.64346   1.64862   1.65758
 Alpha virt. eigenvalues --    1.66027   1.66324   1.66644   1.66898   1.67886
 Alpha virt. eigenvalues --    1.68033   1.68588   1.69054   1.69847   1.70114
 Alpha virt. eigenvalues --    1.70395   1.70556   1.71483   1.71826   1.72160
 Alpha virt. eigenvalues --    1.72523   1.72953   1.73491   1.74190   1.74289
 Alpha virt. eigenvalues --    1.74718   1.76049   1.76221   1.76710   1.76975
 Alpha virt. eigenvalues --    1.77770   1.77938   1.78668   1.79306   1.79607
 Alpha virt. eigenvalues --    1.80441   1.80611   1.81140   1.81470   1.81619
 Alpha virt. eigenvalues --    1.81937   1.82066   1.82682   1.83280   1.83953
 Alpha virt. eigenvalues --    1.84462   1.84685   1.84921   1.85098   1.85907
 Alpha virt. eigenvalues --    1.86564   1.87035   1.87734   1.88285   1.89276
 Alpha virt. eigenvalues --    1.89895   1.90112   1.90665   1.91910   1.92140
 Alpha virt. eigenvalues --    1.92495   1.92909   1.94084   1.94224   1.94340
 Alpha virt. eigenvalues --    1.94617   1.95723   1.96378   1.96517   1.96765
 Alpha virt. eigenvalues --    1.98144   1.98383   1.99254   1.99339   2.00340
 Alpha virt. eigenvalues --    2.00740   2.01081   2.01927   2.02492   2.03127
 Alpha virt. eigenvalues --    2.03608   2.04262   2.04479   2.05001   2.05133
 Alpha virt. eigenvalues --    2.06427   2.07133   2.07765   2.08113   2.08948
 Alpha virt. eigenvalues --    2.09263   2.09877   2.10373   2.10477   2.10831
 Alpha virt. eigenvalues --    2.11777   2.12683   2.12998   2.13799   2.14230
 Alpha virt. eigenvalues --    2.14313   2.14845   2.15480   2.15969   2.16709
 Alpha virt. eigenvalues --    2.17375   2.17718   2.18643   2.19312   2.20221
 Alpha virt. eigenvalues --    2.20625   2.20975   2.21641   2.22509   2.22871
 Alpha virt. eigenvalues --    2.23100   2.24022   2.24215   2.24756   2.26311
 Alpha virt. eigenvalues --    2.26394   2.26725   2.28719   2.28842   2.29742
 Alpha virt. eigenvalues --    2.30038   2.31775   2.32468   2.32638   2.33121
 Alpha virt. eigenvalues --    2.33725   2.34608   2.35999   2.36325   2.36557
 Alpha virt. eigenvalues --    2.37698   2.38025   2.39209   2.40183   2.41786
 Alpha virt. eigenvalues --    2.42330   2.43364   2.44451   2.44775   2.45824
 Alpha virt. eigenvalues --    2.46988   2.47545   2.50295   2.51052   2.52504
 Alpha virt. eigenvalues --    2.53159   2.53961   2.55859   2.56473   2.59811
 Alpha virt. eigenvalues --    2.60058   2.60533   2.61110   2.61335   2.62574
 Alpha virt. eigenvalues --    2.64432   2.66018   2.69164   2.70366   2.71216
 Alpha virt. eigenvalues --    2.72079   2.72600   2.74676   2.75311   2.75691
 Alpha virt. eigenvalues --    2.77844   2.79475   2.80372   2.82230   2.83861
 Alpha virt. eigenvalues --    2.86440   2.88377   2.90458   2.91146   2.92993
 Alpha virt. eigenvalues --    2.96190   2.97211   2.98390   2.99417   3.01024
 Alpha virt. eigenvalues --    3.03293   3.05190   3.07944   3.10522   3.13856
 Alpha virt. eigenvalues --    3.22346   3.24595   3.28361   3.31013   3.33706
 Alpha virt. eigenvalues --    3.39841   3.42461   3.45634   3.47477   3.49690
 Alpha virt. eigenvalues --    3.52242   3.55332   3.60233   3.70069   3.74488
 Alpha virt. eigenvalues --    3.84441   3.87232   3.94470   4.09246   4.35765
 Alpha virt. eigenvalues --    4.37110   4.40827   4.76637   4.88097
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  H    3.942216  -2.664311   0.984633  -0.175871   0.079974  -0.008554
     2  C   -2.664311  57.047138 -17.290814   1.357503   9.150924   0.084010
     3  C    0.984633 -17.290814  31.978824  -2.294296 -11.444300   0.990652
     4  H   -0.175871   1.357503  -2.294296   2.353778   0.930338  -0.082280
     5  C    0.079974   9.150924 -11.444300   0.930338  27.609352  -2.274455
     6  H   -0.008554   0.084010   0.990652  -0.082280  -2.274455   2.167249
     7  C    0.009528 -11.584582   9.370140  -0.258806 -13.302151   1.105339
     8  H    0.001294   0.149046  -0.548244  -0.033171   0.859447  -0.106410
     9  C   -0.258588  -4.570383  -9.630316   0.035554   2.598422  -0.219212
    10  C   -0.067873  -1.365114  -0.744260  -0.032081  -0.271451   0.036021
    11  C    0.673689 -11.420936   1.894067  -0.147159  -3.789448  -0.103148
    12  C    0.396481 -11.752339   2.177230  -0.162144  -3.589645   0.039180
    13  C   -0.063615  -1.246600  -0.638360  -0.020076  -0.128550   0.016705
    14  C    0.012537  -0.793112   1.399682   0.028032  -1.610368  -0.026194
    15  C   -0.516868   4.954526   0.298210   0.038041   0.660382   0.008295
    16  C    0.088360  -0.310512   0.659413   0.011163  -0.131085  -0.004983
    17  C    0.071662   0.655945  -0.221270  -0.012018   0.056522   0.001987
    18  C   -0.028467  -1.242307   0.509354   0.012342  -0.485184  -0.009409
    19  C    0.058713  -2.178524   0.228108   0.058456   0.373148   0.009569
    20  C    0.024845  -0.057538  -0.717607  -0.001907   0.138723   0.008103
    21  C    0.060562   0.689335   0.252154  -0.001725   0.065473   0.001981
    22  C   -0.008266  -0.876152  -0.355975  -0.007306  -0.061458  -0.000725
    23  C   -0.444557  -3.157880   0.465547  -0.011840  -0.629219  -0.052769
    24  C   -0.166100  -0.529612  -0.306229  -0.004801  -0.181189  -0.003338
    25  C    0.017602   0.128578   0.265663   0.024509   0.207170   0.004295
    26  C    0.130238   0.865866  -0.736545  -0.030013   0.508346   0.009467
    27  C   -0.050489  -0.665467   0.568537   0.039162  -0.291206  -0.003940
    28  C   -0.049269   0.044146  -0.509829  -0.005970   0.373130  -0.003397
    29  C   -0.107218   0.886168   0.142996   0.037636  -0.331553  -0.004536
    30  C    0.043285   0.241995  -0.286614   0.008609   0.481333   0.005279
    31  H   -0.003275  -0.128684   0.046266   0.003628   0.083724  -0.005799
    32  H    0.005016   0.017051   0.004903  -0.000590  -0.007594   0.000815
    33  H   -0.003959   0.015110  -0.008421  -0.000206   0.002384   0.000087
    34  H    0.002375   0.024157   0.008810   0.000083  -0.005371  -0.000098
    35  H   -0.001441  -0.002614   0.005470   0.000048   0.002048   0.000040
    36  H   -0.002032   0.012290  -0.004995  -0.000067  -0.000550  -0.000010
    37  H   -0.004053  -0.017529   0.010821  -0.000456  -0.003572  -0.000120
    38  H    0.006164  -0.002617  -0.009162   0.002254  -0.000314  -0.000042
    39  H    0.004203   0.019804  -0.010313  -0.002447  -0.003619  -0.000107
    40  H    0.001096   0.004921  -0.003167   0.000492  -0.006494   0.000617
    41  Br   0.001310   0.027973  -0.065606  -0.003153   0.018456   0.000979
    42  H   -0.053634   0.055739  -0.057898   0.010212  -0.016343  -0.000520
               7          8          9         10         11         12
     1  H    0.009528   0.001294  -0.258588  -0.067873   0.673689   0.396481
     2  C  -11.584582   0.149046  -4.570383  -1.365114 -11.420936 -11.752339
     3  C    9.370140  -0.548244  -9.630316  -0.744260   1.894067   2.177230
     4  H   -0.258806  -0.033171   0.035554  -0.032081  -0.147159  -0.162144
     5  C  -13.302151   0.859447   2.598422  -0.271451  -3.789448  -3.589645
     6  H    1.105339  -0.106410  -0.219212   0.036021  -0.103148   0.039180
     7  C   45.748338  -4.151257 -11.035911  -4.949782  -9.704595   1.099218
     8  H   -4.151257   2.727774   2.307716   0.266555   0.568991  -0.036775
     9  C  -11.035911   2.307716  48.742792  -4.246435 -16.289541  -3.514204
    10  C   -4.949782   0.266555  -4.246435  37.104026  -6.586360   5.455414
    11  C   -9.704595   0.568991 -16.289541  -6.586360  83.207057 -15.543339
    12  C    1.099218  -0.036775  -3.514204   5.455414 -15.543339  77.911077
    13  C    0.884320  -0.071316   4.082280  -2.974280  -4.800908 -10.603512
    14  C    2.004049  -0.059595  -2.297844 -11.158720   4.151404  -8.349588
    15  C   -1.455017   0.008887  -1.550604  -1.526724  -8.795403 -10.143783
    16  C   -0.017427   0.003026  -1.014031   0.414045  -0.702424  -6.147525
    17  C   -0.060889  -0.000570   1.526768  -3.390679  -1.115011   4.116325
    18  C    0.738550  -0.005693  -1.793765   1.326275  -2.127701  -6.229809
    19  C    0.199186  -0.006825   1.435757  -0.001548  -2.727405  -2.850386
    20  C    0.025363  -0.001440   0.133550   0.040005  -0.609572  -0.527467
    21  C   -0.062436  -0.000135  -0.474059  -0.125104  -0.304509  -2.625728
    22  C    0.030599  -0.000059   0.717177  -0.354548  -1.279971   1.286086
    23  C    0.449291   0.024866  -0.344001   0.202968   3.584247  -1.452285
    24  C    0.024528  -0.000231   0.284843   0.085596   0.207132  -1.445620
    25  C   -0.077185   0.000030  -0.214556  -0.121267  -0.280594   0.094700
    26  C   -0.413384  -0.002312  -0.169929  -0.071829  -0.437008   1.750683
    27  C    0.133353   0.002567  -0.260749   0.009172  -0.062641   0.539966
    28  C   -0.177733  -0.006516   0.487262   0.101210   0.329456  -0.320465
    29  C    0.257814  -0.001300  -0.491113  -0.043616   0.166184  -0.513791
    30  C   -0.778362   0.021762   1.041577  -0.097893  -0.838638  -3.335396
    31  H    0.862434  -0.105779   0.108238  -3.284149  -0.018211  -0.596063
    32  H    0.028090   0.000883   0.203762   1.459432  -0.672198   0.590635
    33  H    0.001224  -0.000000   0.031784  -0.028292  -0.027123  -0.340790
    34  H   -0.021164  -0.001008  -0.042054  -0.160019  -0.022345   0.749167
    35  H   -0.000964  -0.000006  -0.005659  -0.002162   0.013390   0.007283
    36  H    0.000927  -0.000035  -0.002213   0.004338  -0.018148  -0.078814
    37  H    0.001004   0.000008   0.000129   0.003474  -0.017176   0.056637
    38  H    0.000241   0.000001   0.000630  -0.003056   0.020564  -0.012492
    39  H    0.001787   0.000098   0.001905   0.001809   0.017391  -0.008943
    40  H    0.001796  -0.000146   0.004423   0.001028  -0.053078   0.013315
    41  Br  -0.040201  -0.000422   0.079326   0.062025  -0.163562   0.083273
    42  H   -0.041851   0.005447   0.150718   0.023599  -0.329916   0.074183
              13         14         15         16         17         18
     1  H   -0.063615   0.012537  -0.516868   0.088360   0.071662  -0.028467
     2  C   -1.246600  -0.793112   4.954526  -0.310512   0.655945  -1.242307
     3  C   -0.638360   1.399682   0.298210   0.659413  -0.221270   0.509354
     4  H   -0.020076   0.028032   0.038041   0.011163  -0.012018   0.012342
     5  C   -0.128550  -1.610368   0.660382  -0.131085   0.056522  -0.485184
     6  H    0.016705  -0.026194   0.008295  -0.004983   0.001987  -0.009409
     7  C    0.884320   2.004049  -1.455017  -0.017427  -0.060889   0.738550
     8  H   -0.071316  -0.059595   0.008887   0.003026  -0.000570  -0.005693
     9  C    4.082280  -2.297844  -1.550604  -1.014031   1.526768  -1.793765
    10  C   -2.974280 -11.158720  -1.526724   0.414045  -3.390679   1.326275
    11  C   -4.800908   4.151404  -8.795403  -0.702424  -1.115011  -2.127701
    12  C  -10.603512  -8.349588 -10.143783  -6.147525   4.116325  -6.229809
    13  C   35.556875  -4.068377  -4.116067  -0.338036   3.220817  -7.788514
    14  C   -4.068377  37.753628  -2.261632  -1.243778   0.049893  -3.606261
    15  C   -4.116067  -2.261632  65.260151  -7.457053  -5.149081   2.792665
    16  C   -0.338036  -1.243778  -7.457053  39.267009  -9.949247   4.552691
    17  C    3.220817   0.049893  -5.149081  -9.949247  43.981848 -18.893334
    18  C   -7.788514  -3.606261   2.792665   4.552691 -18.893334  43.322100
    19  C   -0.955581  -1.198347  -9.019043  -6.078465  -0.202797  -1.993917
    20  C    0.448682  -0.253155  -3.589786   0.278123  -1.232487   0.872448
    21  C    1.049362  -0.042904   4.042981   5.102656  -1.616031  -2.810800
    22  C   -1.870669  -0.842672  -5.723185 -10.904159  -1.961235  -0.972917
    23  C    0.484263   0.023981  -8.677391  -0.456104  -1.534235   0.316209
    24  C   -0.308237  -0.244604  -2.285809  -1.109141  -0.847034  -0.139282
    25  C    0.081610   0.110161  -0.464114   0.076512  -0.335476  -0.099835
    26  C    0.021792   0.129966  -3.482720  -0.946282   0.299746  -0.202903
    27  C    0.074182  -0.027733  -2.416533  -0.030952  -0.027453  -0.015370
    28  C   -0.087389  -0.063808   0.932412  -0.020145  -0.040310   0.004696
    29  C   -0.633924  -0.075383   1.341484   0.714587  -0.144240   0.002012
    30  C   -0.948292  -0.565910   4.910568  -0.097509  -0.503732   0.211826
    31  H    0.250758   1.944054   0.083144   0.009141  -0.013418   0.049687
    32  H    0.367484  -3.056597  -0.015196   0.010303  -0.030908   0.450580
    33  H   -0.120345   0.086648   0.406578   0.908193  -3.584307   2.137257
    34  H    0.804338  -0.009503  -0.409863  -0.238313   2.232631  -3.725658
    35  H    0.003256   0.007171  -0.367406  -0.357124   0.137483  -0.007619
    36  H   -0.018181  -0.017585   0.463864   1.248670  -0.095174  -0.106983
    37  H   -0.002093  -0.005697  -0.004902  -0.010952  -0.016879   0.000534
    38  H    0.002482   0.003319   0.058101   0.011166  -0.002374  -0.000320
    39  H   -0.000549  -0.001400   0.016872   0.002949   0.000639  -0.000432
    40  H    0.002456  -0.000751   0.001439  -0.002961  -0.001434   0.001731
    41  Br   0.058451  -0.032127   0.044763  -0.006650  -0.001858   0.024547
    42  H    0.000128  -0.170704  -0.162332   0.094319   0.009577   0.014672
              19         20         21         22         23         24
     1  H    0.058713   0.024845   0.060562  -0.008266  -0.444557  -0.166100
     2  C   -2.178524  -0.057538   0.689335  -0.876152  -3.157880  -0.529612
     3  C    0.228108  -0.717607   0.252154  -0.355975   0.465547  -0.306229
     4  H    0.058456  -0.001907  -0.001725  -0.007306  -0.011840  -0.004801
     5  C    0.373148   0.138723   0.065473  -0.061458  -0.629219  -0.181189
     6  H    0.009569   0.008103   0.001981  -0.000725  -0.052769  -0.003338
     7  C    0.199186   0.025363  -0.062436   0.030599   0.449291   0.024528
     8  H   -0.006825  -0.001440  -0.000135  -0.000059   0.024866  -0.000231
     9  C    1.435757   0.133550  -0.474059   0.717177  -0.344001   0.284843
    10  C   -0.001548   0.040005  -0.125104  -0.354548   0.202968   0.085596
    11  C   -2.727405  -0.609572  -0.304509  -1.279971   3.584247   0.207132
    12  C   -2.850386  -0.527467  -2.625728   1.286086  -1.452285  -1.445620
    13  C   -0.955581   0.448682   1.049362  -1.870669   0.484263  -0.308237
    14  C   -1.198347  -0.253155  -0.042904  -0.842672   0.023981  -0.244604
    15  C   -9.019043  -3.589786   4.042981  -5.723185  -8.677391  -2.285809
    16  C   -6.078465   0.278123   5.102656 -10.904159  -0.456104  -1.109141
    17  C   -0.202797  -1.232487  -1.616031  -1.961235  -1.534235  -0.847034
    18  C   -1.993917   0.872448  -2.810800  -0.972917   0.316209  -0.139282
    19  C   75.067959  -9.301659  -6.337026   3.871265 -16.284583  -8.792743
    20  C   -9.301659  33.819301  -8.774464   4.761292  -4.973984  -4.338258
    21  C   -6.337026  -8.774464  44.725966 -20.850073  -1.133160  -3.391285
    22  C    3.871265   4.761292 -20.850073  45.884568  -1.985960  -0.992857
    23  C  -16.284583  -4.973984  -1.133160  -1.985960  86.578516   4.483321
    24  C   -8.792743  -4.338258  -3.391285  -0.992857   4.483321  36.364391
    25  C    6.779289  -2.515382   1.306200  -2.752745  -7.484893 -10.383561
    26  C   -2.596342   2.507074  -1.493337   1.033985 -11.316870  -2.085939
    27  C   -0.443052  -0.513613   0.972792  -0.185167 -10.895682   4.221975
    28  C   -1.468691  -0.272816  -0.497174   0.074712  -4.875378  -1.791637
    29  C   -0.795395  -0.184857   0.262954  -0.026588  -1.691590   0.911376
    30  C   -8.952667  -0.843951  -1.657302   1.002821 -13.342081  -0.295483
    31  H   -0.014792   0.002440  -0.000798  -0.001816   0.015313   0.002501
    32  H    0.063270   0.000163   0.001337  -0.014805  -0.016883  -0.005022
    33  H   -0.045083  -0.014785  -0.065483   0.054027  -0.012284  -0.014785
    34  H    0.005196   0.003854  -0.011670   0.107010   0.006015   0.005022
    35  H    0.720448   1.204993  -4.028663   2.261404  -0.064529  -0.083651
    36  H   -0.267551  -0.230302   2.228235  -3.864879  -0.035934   0.117695
    37  H    0.527757   0.346732   0.500350   0.023673  -0.633876  -2.874982
    38  H   -0.638976   0.188169   0.018884  -0.023424  -0.006740   1.771043
    39  H    0.022428  -0.046733  -0.013186  -0.001639   0.802406  -0.241213
    40  H    0.043363   0.012337  -0.006870   0.000869  -0.146379  -0.000654
    41  Br  -0.091462   0.001370  -0.006692   0.003809  -0.390702  -0.012090
    42  H   -0.083452  -0.072081  -0.015760   0.054408   0.772508   0.011592
              25         26         27         28         29         30
     1  H    0.017602   0.130238  -0.050489  -0.049269  -0.107218   0.043285
     2  C    0.128578   0.865866  -0.665467   0.044146   0.886168   0.241995
     3  C    0.265663  -0.736545   0.568537  -0.509829   0.142996  -0.286614
     4  H    0.024509  -0.030013   0.039162  -0.005970   0.037636   0.008609
     5  C    0.207170   0.508346  -0.291206   0.373130  -0.331553   0.481333
     6  H    0.004295   0.009467  -0.003940  -0.003397  -0.004536   0.005279
     7  C   -0.077185  -0.413384   0.133353  -0.177733   0.257814  -0.778362
     8  H    0.000030  -0.002312   0.002567  -0.006516  -0.001300   0.021762
     9  C   -0.214556  -0.169929  -0.260749   0.487262  -0.491113   1.041577
    10  C   -0.121267  -0.071829   0.009172   0.101210  -0.043616  -0.097893
    11  C   -0.280594  -0.437008  -0.062641   0.329456   0.166184  -0.838638
    12  C    0.094700   1.750683   0.539966  -0.320465  -0.513791  -3.335396
    13  C    0.081610   0.021792   0.074182  -0.087389  -0.633924  -0.948292
    14  C    0.110161   0.129966  -0.027733  -0.063808  -0.075383  -0.565910
    15  C   -0.464114  -3.482720  -2.416533   0.932412   1.341484   4.910568
    16  C    0.076512  -0.946282  -0.030952  -0.020145   0.714587  -0.097509
    17  C   -0.335476   0.299746  -0.027453  -0.040310  -0.144240  -0.503732
    18  C   -0.099835  -0.202903  -0.015370   0.004696   0.002012   0.211826
    19  C    6.779289  -2.596342  -0.443052  -1.468691  -0.795395  -8.952667
    20  C   -2.515382   2.507074  -0.513613  -0.272816  -0.184857  -0.843951
    21  C    1.306200  -1.493337   0.972792  -0.497174   0.262954  -1.657302
    22  C   -2.752745   1.033985  -0.185167   0.074712  -0.026588   1.002821
    23  C   -7.484893 -11.316870 -10.895682  -4.875378  -1.691590 -13.342081
    24  C  -10.383561  -2.085939   4.221975  -1.791637   0.911376  -0.295483
    25  C   36.688690  -5.530526  -6.438486  -0.284073  -0.331076  -1.508183
    26  C   -5.530526  52.542004 -13.982131   2.881209 -11.238447  -4.613365
    27  C   -6.438486 -13.982131  56.977732 -16.272841   6.762776  -9.822493
    28  C   -0.284073   2.881209 -16.272841  34.394467  -8.210244   1.418502
    29  C   -0.331076 -11.238447   6.762776  -8.210244  29.686382  -9.150461
    30  C   -1.508183  -4.613365  -9.822493   1.418502  -9.150461  53.313058
    31  H   -0.002498   0.002909   0.001802  -0.004589  -0.013517   0.001072
    32  H    0.003652  -0.002066  -0.000418  -0.000760   0.010596  -0.022604
    33  H    0.002395  -0.003819   0.000422  -0.000688  -0.002691   0.004156
    34  H   -0.001953  -0.001624  -0.000072   0.000624   0.004466  -0.001703
    35  H   -0.125914  -0.053758  -0.014092  -0.005423   0.005900   0.027343
    36  H   -0.022746   0.030522  -0.001971   0.002196  -0.004310   0.020151
    37  H    1.302308   0.162406   0.033872  -0.012703   0.007501   0.020679
    38  H   -3.234486   0.004633   1.207077   0.072867   0.073856  -0.124461
    39  H    0.148200   3.045450  -5.157217   1.451418  -1.003829   0.193577
    40  H    0.112867  -0.547852   1.331830  -2.906573   1.206843   0.435380
    41  Br  -0.038195   0.185393  -0.230326   0.535558  -0.957693   1.058939
    42  H   -0.097105  -0.570207  -0.060606   0.295810   0.635991  -2.473635
              31         32         33         34         35         36
     1  H   -0.003275   0.005016  -0.003959   0.002375  -0.001441  -0.002032
     2  C   -0.128684   0.017051   0.015110   0.024157  -0.002614   0.012290
     3  C    0.046266   0.004903  -0.008421   0.008810   0.005470  -0.004995
     4  H    0.003628  -0.000590  -0.000206   0.000083   0.000048  -0.000067
     5  C    0.083724  -0.007594   0.002384  -0.005371   0.002048  -0.000550
     6  H   -0.005799   0.000815   0.000087  -0.000098   0.000040  -0.000010
     7  C    0.862434   0.028090   0.001224  -0.021164  -0.000964   0.000927
     8  H   -0.105779   0.000883  -0.000000  -0.001008  -0.000006  -0.000035
     9  C    0.108238   0.203762   0.031784  -0.042054  -0.005659  -0.002213
    10  C   -3.284149   1.459432  -0.028292  -0.160019  -0.002162   0.004338
    11  C   -0.018211  -0.672198  -0.027123  -0.022345   0.013390  -0.018148
    12  C   -0.596063   0.590635  -0.340790   0.749167   0.007283  -0.078814
    13  C    0.250758   0.367484  -0.120345   0.804338   0.003256  -0.018181
    14  C    1.944054  -3.056597   0.086648  -0.009503   0.007171  -0.017585
    15  C    0.083144  -0.015196   0.406578  -0.409863  -0.367406   0.463864
    16  C    0.009141   0.010303   0.908193  -0.238313  -0.357124   1.248670
    17  C   -0.013418  -0.030908  -3.584307   2.232631   0.137483  -0.095174
    18  C    0.049687   0.450580   2.137257  -3.725658  -0.007619  -0.106983
    19  C   -0.014792   0.063270  -0.045083   0.005196   0.720448  -0.267551
    20  C    0.002440   0.000163  -0.014785   0.003854   1.204993  -0.230302
    21  C   -0.000798   0.001337  -0.065483  -0.011670  -4.028663   2.228235
    22  C   -0.001816  -0.014805   0.054027   0.107010   2.261404  -3.864879
    23  C    0.015313  -0.016883  -0.012284   0.006015  -0.064529  -0.035934
    24  C    0.002501  -0.005022  -0.014785   0.005022  -0.083651   0.117695
    25  C   -0.002498   0.003652   0.002395  -0.001953  -0.125914  -0.022746
    26  C    0.002909  -0.002066  -0.003819  -0.001624  -0.053758   0.030522
    27  C    0.001802  -0.000418   0.000422  -0.000072  -0.014092  -0.001971
    28  C   -0.004589  -0.000760  -0.000688   0.000624  -0.005423   0.002196
    29  C   -0.013517   0.010596  -0.002691   0.004466   0.005900  -0.004310
    30  C    0.001072  -0.022604   0.004156  -0.001703   0.027343   0.020151
    31  H    2.638274  -0.142885   0.000660  -0.000746  -0.000023   0.000110
    32  H   -0.142885   2.650880  -0.004874  -0.126226   0.000110  -0.000841
    33  H    0.000660  -0.004874   2.647724  -0.115890  -0.000205  -0.127376
    34  H   -0.000746  -0.126226  -0.115890   2.732129   0.000519   0.001151
    35  H   -0.000023   0.000110  -0.000205   0.000519   2.762683  -0.117180
    36  H    0.000110  -0.000841  -0.127376   0.001151  -0.117180   2.675100
    37  H    0.000062  -0.000122  -0.001120   0.000098  -0.125700  -0.003264
    38  H   -0.000046   0.000074   0.000080  -0.000015   0.002165   0.000296
    39  H   -0.000002  -0.000014  -0.000002  -0.000010  -0.001428   0.000030
    40  H    0.000062  -0.000060  -0.000033   0.000028  -0.000038   0.000052
    41  Br   0.001747  -0.002500  -0.000146   0.000429  -0.000142   0.000097
    42  H    0.003943   0.000703  -0.001244   0.000665   0.002429  -0.005264
              37         38         39         40         41         42
     1  H   -0.004053   0.006164   0.004203   0.001096   0.001310  -0.053634
     2  C   -0.017529  -0.002617   0.019804   0.004921   0.027973   0.055739
     3  C    0.010821  -0.009162  -0.010313  -0.003167  -0.065606  -0.057898
     4  H   -0.000456   0.002254  -0.002447   0.000492  -0.003153   0.010212
     5  C   -0.003572  -0.000314  -0.003619  -0.006494   0.018456  -0.016343
     6  H   -0.000120  -0.000042  -0.000107   0.000617   0.000979  -0.000520
     7  C    0.001004   0.000241   0.001787   0.001796  -0.040201  -0.041851
     8  H    0.000008   0.000001   0.000098  -0.000146  -0.000422   0.005447
     9  C    0.000129   0.000630   0.001905   0.004423   0.079326   0.150718
    10  C    0.003474  -0.003056   0.001809   0.001028   0.062025   0.023599
    11  C   -0.017176   0.020564   0.017391  -0.053078  -0.163562  -0.329916
    12  C    0.056637  -0.012492  -0.008943   0.013315   0.083273   0.074183
    13  C   -0.002093   0.002482  -0.000549   0.002456   0.058451   0.000128
    14  C   -0.005697   0.003319  -0.001400  -0.000751  -0.032127  -0.170704
    15  C   -0.004902   0.058101   0.016872   0.001439   0.044763  -0.162332
    16  C   -0.010952   0.011166   0.002949  -0.002961  -0.006650   0.094319
    17  C   -0.016879  -0.002374   0.000639  -0.001434  -0.001858   0.009577
    18  C    0.000534  -0.000320  -0.000432   0.001731   0.024547   0.014672
    19  C    0.527757  -0.638976   0.022428   0.043363  -0.091462  -0.083452
    20  C    0.346732   0.188169  -0.046733   0.012337   0.001370  -0.072081
    21  C    0.500350   0.018884  -0.013186  -0.006870  -0.006692  -0.015760
    22  C    0.023673  -0.023424  -0.001639   0.000869   0.003809   0.054408
    23  C   -0.633876  -0.006740   0.802406  -0.146379  -0.390702   0.772508
    24  C   -2.874982   1.771043  -0.241213  -0.000654  -0.012090   0.011592
    25  C    1.302308  -3.234486   0.148200   0.112867  -0.038195  -0.097105
    26  C    0.162406   0.004633   3.045450  -0.547852   0.185393  -0.570207
    27  C    0.033872   1.207077  -5.157217   1.331830  -0.230326  -0.060606
    28  C   -0.012703   0.072867   1.451418  -2.906573   0.535558   0.295810
    29  C    0.007501   0.073856  -1.003829   1.206843  -0.957693   0.635991
    30  C    0.020679  -0.124461   0.193577   0.435380   1.058939  -2.473635
    31  H    0.000062  -0.000046  -0.000002   0.000062   0.001747   0.003943
    32  H   -0.000122   0.000074  -0.000014  -0.000060  -0.002500   0.000703
    33  H   -0.001120   0.000080  -0.000002  -0.000033  -0.000146  -0.001244
    34  H    0.000098  -0.000015  -0.000010   0.000028   0.000429   0.000665
    35  H   -0.125700   0.002165  -0.001428  -0.000038  -0.000142   0.002429
    36  H   -0.003264   0.000296   0.000030   0.000052   0.000097  -0.005264
    37  H    2.624096  -0.150309   0.000518   0.000273  -0.000037   0.003061
    38  H   -0.150309   2.635669  -0.109537  -0.005207  -0.000390   0.000073
    39  H    0.000518  -0.109537   2.886274  -0.177635   0.005553  -0.004841
    40  H    0.000273  -0.005207  -0.177635   2.385730  -0.024223   0.002064
    41  Br  -0.000037  -0.000390   0.005553  -0.024223  34.555021  -0.021974
    42  H    0.003061   0.000073  -0.004841   0.002064  -0.021974   4.032155
 Mulliken charges:
               1
     1  H   -0.937340
     2  C    1.425400
     3  C   -0.377257
     4  H   -0.663457
     5  C    0.365821
     6  H   -0.580627
     7  C    1.156579
     8  H   -0.809154
     9  C    0.450551
    10  C    1.010253
    11  C    0.154498
    12  C   -0.259949
    13  C    0.393230
    14  C    0.379824
    15  C   -0.732851
    16  C    0.122531
    17  C    0.621639
    18  C    0.946301
    19  C   -0.137598
    20  C    0.256277
    21  C    1.065152
    22  C    0.751544
    23  C   -0.157662
    24  C    0.384370
    25  C    0.990418
    26  C    0.417519
    27  C    0.993485
    28  C    0.488747
    29  C   -1.160149
    30  C    1.798821
    31  H   -0.774881
    32  H   -0.746574
    33  H   -0.774778
    34  H   -0.793462
    35  H   -0.798440
    36  H   -0.779317
    37  H   -0.740452
    38  H   -0.755842
    39  H   -0.838215
    40  H   -0.681456
    41  Br   0.341131
    42  H   -1.014629
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     2  C    0.488060
     3  C   -1.040714
     5  C   -0.214806
     7  C    0.347425
     9  C    0.450551
    10  C    0.235371
    11  C    0.154498
    12  C   -0.259949
    13  C    0.393230
    14  C   -0.366749
    15  C   -0.732851
    16  C    0.122531
    17  C   -0.153138
    18  C    0.152839
    19  C   -0.137598
    20  C    0.256277
    21  C    0.266711
    22  C   -0.027773
    23  C   -0.157662
    24  C   -0.356082
    25  C    0.234576
    26  C    0.417519
    27  C    0.155270
    28  C   -0.192709
    29  C   -1.160149
    30  C    0.784192
    41  Br   0.341131
 Electronic spatial extent (au):  <R**2>=           9164.5406
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.5717    Y=              0.6609    Z=              0.8535  Tot=              1.9067
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -154.7434   YY=           -147.3323   ZZ=           -169.8934
   XY=             -2.3758   XZ=              8.8464   YZ=              9.4482
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.5796   YY=              9.9907   ZZ=            -12.5704
   XY=             -2.3758   XZ=              8.8464   YZ=              9.4482
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             52.2190  YYY=             19.6970  ZZZ=            -35.2777  XYY=             44.5853
  XXY=              8.5853  XXZ=            -18.4988  XZZ=             51.7642  YZZ=             -1.1445
  YYZ=            -17.1811  XYZ=            -19.1931
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5217.9371 YYYY=          -4461.6895 ZZZZ=          -1619.1493 XXXY=            -40.7418
 XXXZ=            -20.9490 YYYX=            -13.1201 YYYZ=            181.0355 ZZZX=           -110.8653
 ZZZY=             22.9649 XXYY=          -1581.2833 XXZZ=          -1195.1794 YYZZ=          -1116.5866
 XXYZ=             47.6269 YYXZ=             -8.1322 ZZXY=              8.5119
 N-N= 2.775636096689D+03 E-N=-1.401873756296D+04  KE= 3.563530382615D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 19:33:17 2021, MaxMem= 16106127360 cpu:              13.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.57213074D-01 2.19256303D-01 3.03059924D-01
 Polarizability= 4.08146991D+02-1.87080107D+01 3.73842522D+02
                 4.12699117D+01 4.43260150D+01 2.21766771D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0009    0.0000      -22.6191  -22.6180       -9.3300   -9.3274
 2     22.6155   22.6180      -22.1643  -22.1345      -17.9600  -17.8358
 3      9.3325    9.3274      100.3874  100.2785       22.0754   22.1345
 4     22.1640   22.1345       -0.0001    0.0000        9.2687    9.3274
 5    -82.4311  -82.4427       -9.2693   -9.3274      -22.4420  -22.6180
 6    -22.0762  -22.1345       22.4404   22.6180       -0.0002    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       67.8541   67.8541      -27.9824  -27.9823
 2     66.4036   66.4036       -0.0000    0.0000      -27.9823  -27.9823
 3     66.4036   66.4036       67.8542   67.8541        0.0000    0.0000
 4     67.8542   67.8541      -66.4036  -66.4036      -53.5073  -53.5073
 5     27.9823   27.9823      300.8355  300.8355       66.4036   66.4036
 6   -247.3282 -247.3282      -27.9824  -27.9823      -67.8541  -67.8541
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2525    0.0000       90.6988   90.4722       39.0083   37.3098
 2    -90.6927  -90.4722       92.1332   88.5382       73.6682   71.3431
 3    -38.8911  -37.3098     -403.7729 -401.1140      -91.8885  -88.5382
 4    -87.8364  -88.5382        2.5650    0.0000      -35.2192  -37.3098
 5    328.7377  329.7709       33.4300   37.3098       86.6765   90.4722
 6     89.0957   88.5382      -89.4161  -90.4722        1.8872    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0523    0.0000      272.0958  271.9523      140.4937  142.1178
 2   -278.3943 -271.9523      541.6717  553.3964      518.7986  523.4394
 3   -143.9974 -142.1178     -832.3522 -816.0405     -561.7126 -553.3964
 4   -555.9231 -553.3964      -10.1242    0.0000     -146.1590 -142.1178
 5    284.2019  292.6011      130.8733  142.1178      261.1819  271.9523
 6    572.9042  553.3964     -255.0368 -271.9523       25.2012    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -206.7735 -205.7684     -281.4088 -282.3741     -225.9377 -226.3693
 2   -422.2553 -417.3880     -105.9345  -94.2899     -237.0339 -226.3693
 3   -423.2003 -417.3880     -288.0247 -282.3741     -295.6109 -291.3130
 4   -192.6936 -188.0843      205.6822  211.6196      298.6035  301.4161
 5    -63.9093  -64.9438     -490.7075 -485.0971     -224.2309 -211.6196
 6    185.2939  183.6810       65.5681   64.9438      196.8206  188.0843
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0060   -0.0048    0.0025    2.3449    3.5803    4.6462
 Low frequencies ---   31.2184   49.5315   55.0044
 Diagonal vibrational polarizability:
        8.4768510       6.5698066      16.0660510
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.2174                49.5313                55.0043
 Red. masses --      8.8014                 6.2034                 6.2240
 Frc consts  --      0.0051                 0.0090                 0.0111
 IR Inten    --      0.0449                 0.1345                 0.0498
 RamAct Fr= 1--      6.5408                 8.7493                 7.0866
  Dep-P Fr= 1--      0.7034                 0.5462                 0.7100
  Dep-U Fr= 1--      0.8259                 0.7065                 0.8304
 Alpha2 Fr= 1--      0.0053                 0.0342                 0.0049
 Beta2  Fr= 1--      0.9003                 1.0303                 0.9808
 AlphaG Fr= 1--     -0.0543                -0.0177                 0.0250
 Gamma2 Fr= 1--     -4.8029                -4.6492                -6.5556
 Delta2 Fr= 1--     -2.4106                -0.5640                -3.3770
 Raman1 Fr= 1--      26.163                 34.997                 28.346
 ROA1   Fr= 1--    -538.212               -464.367               -737.405
 CID1   Fr= 1--     -20.571                -13.269                -26.014
 Raman2 Fr= 1--      10.804                 12.363                 11.769
 ROA2   Fr= 1--     -95.984               -107.068               -130.319
 CID2   Fr= 1--      -8.884                 -8.660                -11.073
 Raman3 Fr= 1--      21.608                 24.727                 23.539
 ROA3   Fr= 1--    -538.212               -464.367               -737.405
 CID3   Fr= 1--     -24.908                -18.780                -31.327
 RC180  Fr= 1--       0.652                  0.413                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.05  -0.00  -0.03    -0.12   0.01   0.05     0.09   0.05  -0.08
     2   6     0.07   0.02  -0.09    -0.07   0.06   0.03     0.07   0.02  -0.08
     3   6     0.14   0.06  -0.17    -0.04   0.13   0.00     0.12   0.05  -0.14
     4   1     0.18   0.06  -0.18    -0.08   0.13   0.01     0.18   0.10  -0.19
     5   6     0.18   0.10  -0.26     0.03   0.21  -0.04     0.08   0.02  -0.13
     6   1     0.24   0.13  -0.33     0.06   0.27  -0.07     0.12   0.04  -0.18
     7   6     0.14   0.10  -0.25     0.07   0.20  -0.04    -0.01  -0.05  -0.04
     8   1     0.16   0.12  -0.31     0.13   0.25  -0.06    -0.04  -0.08  -0.02
     9   6     0.07   0.06  -0.16     0.05   0.12  -0.00    -0.06  -0.07   0.02
    10   6     0.03   0.05  -0.14     0.08   0.11   0.00    -0.15  -0.13   0.12
    11   6     0.03   0.03  -0.08    -0.01   0.07   0.02    -0.01  -0.03  -0.02
    12   6    -0.02   0.01  -0.02    -0.01   0.02   0.01    -0.04  -0.04   0.01
    13   6    -0.04   0.01  -0.00     0.03   0.01   0.02    -0.11  -0.07   0.10
    14   6    -0.02   0.02  -0.06     0.07   0.05   0.02    -0.17  -0.13   0.17
    15   6    -0.04   0.01   0.01    -0.01   0.00  -0.02    -0.01  -0.02  -0.04
    16   6    -0.05  -0.01   0.06     0.00   0.00  -0.06    -0.02   0.00  -0.04
    17   6    -0.07  -0.02   0.10     0.03  -0.01  -0.05    -0.07  -0.02   0.03
    18   6    -0.07  -0.01   0.07     0.04  -0.01  -0.01    -0.11  -0.07   0.11
    19   6    -0.04   0.01  -0.03    -0.01  -0.01  -0.01     0.00  -0.01  -0.05
    20   6    -0.04   0.02  -0.03    -0.00   0.00  -0.03     0.01  -0.00  -0.08
    21   6    -0.04   0.00   0.03     0.00   0.01  -0.09     0.01   0.03  -0.12
    22   6    -0.05  -0.01   0.07     0.01   0.02  -0.11     0.01   0.02  -0.11
    23   6    -0.04   0.02  -0.04    -0.01  -0.03   0.03     0.01  -0.02  -0.00
    24   6    -0.04   0.03  -0.06     0.02  -0.02   0.04     0.00  -0.02  -0.03
    25   6    -0.04   0.03  -0.08     0.03  -0.07   0.14    -0.00  -0.04   0.05
    26   6    -0.04   0.02  -0.06     0.02  -0.08   0.13     0.00  -0.04   0.07
    27   6    -0.03   0.01  -0.03     0.05  -0.14   0.22     0.01  -0.04   0.14
    28   6    -0.02  -0.02   0.03     0.03  -0.14   0.18     0.02  -0.02   0.13
    29   6    -0.02  -0.02   0.04    -0.01  -0.08   0.05     0.03   0.01   0.04
    30   6    -0.03   0.01  -0.01    -0.03  -0.03  -0.02     0.03   0.01  -0.01
    31   1     0.05   0.07  -0.20     0.12   0.14  -0.01    -0.19  -0.17   0.17
    32   1    -0.04   0.02  -0.04     0.11   0.03   0.03    -0.24  -0.16   0.25
    33   1    -0.09  -0.03   0.15     0.04  -0.03  -0.08    -0.07   0.00   0.03
    34   1    -0.09  -0.02   0.09     0.06  -0.02   0.00    -0.15  -0.09   0.18
    35   1    -0.04   0.01   0.03     0.00   0.02  -0.12     0.02   0.04  -0.16
    36   1    -0.06  -0.02   0.11     0.02   0.03  -0.15     0.01   0.03  -0.13
    37   1    -0.04   0.03  -0.07     0.03  -0.01   0.04    -0.00  -0.01  -0.05
    38   1    -0.04   0.04  -0.10     0.04  -0.10   0.21    -0.00  -0.05   0.10
    39   1    -0.03   0.01  -0.04     0.08  -0.18   0.31    -0.00  -0.06   0.21
    40   1    -0.01  -0.03   0.08     0.04  -0.18   0.24     0.02  -0.02   0.18
    41  35     0.01  -0.09   0.18    -0.06  -0.06  -0.06     0.06   0.10  -0.02
    42   1    -0.03   0.01  -0.01    -0.07   0.02  -0.11     0.03   0.02  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     85.2523                94.2722               105.8558
 Red. masses --      5.5643                 6.4684                 4.5085
 Frc consts  --      0.0238                 0.0339                 0.0298
 IR Inten    --      0.0303                 0.6045                 0.7770
 RamAct Fr= 1--      2.4012                 8.6438                 0.5001
  Dep-P Fr= 1--      0.7361                 0.7303                 0.7498
  Dep-U Fr= 1--      0.8480                 0.8442                 0.8570
 Alpha2 Fr= 1--      0.0006                 0.0029                 0.0000
 Beta2  Fr= 1--      0.3394                 1.2161                 0.0714
 AlphaG Fr= 1--     -0.0152                -0.0097                -0.0001
 Gamma2 Fr= 1--    -12.3082                 5.4641                 0.0387
 Delta2 Fr= 1--     -3.7967                 2.0949                -0.1507
 Raman1 Fr= 1--       9.605                 34.575                  2.000
 ROA1   Fr= 1--   -1303.085                591.591                 -1.108
 CID1   Fr= 1--    -135.673                 17.110                 -0.554
 Raman2 Fr= 1--       4.072                 14.594                  0.857
 ROA2   Fr= 1--    -265.024                114.379                  2.134
 CID2   Fr= 1--     -65.078                  7.838                  2.489
 Raman3 Fr= 1--       8.145                 29.187                  1.714
 ROA3   Fr= 1--   -1303.085                591.591                 -1.108
 CID3   Fr= 1--    -159.989                 20.269                 -0.646
 RC180  Fr= 1--       0.696                  0.688                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.14  -0.10   0.09    -0.16   0.05  -0.11     0.20   0.18  -0.21
     2   6    -0.10  -0.07   0.07    -0.13   0.07  -0.08     0.13   0.10  -0.13
     3   6    -0.14  -0.10   0.11    -0.15   0.13  -0.05     0.06   0.04  -0.05
     4   1    -0.20  -0.16   0.18    -0.19   0.14  -0.06     0.08   0.07  -0.09
     5   6    -0.09  -0.04   0.05    -0.12   0.15  -0.00    -0.05  -0.09   0.10
     6   1    -0.11  -0.07   0.09    -0.13   0.19   0.02    -0.12  -0.16   0.19
     7   6     0.01   0.03  -0.05    -0.07   0.11   0.02    -0.08  -0.10   0.12
     8   1     0.05   0.08  -0.10    -0.05   0.13   0.07    -0.16  -0.18   0.22
     9   6     0.03   0.05  -0.07    -0.05   0.06  -0.00     0.01  -0.02   0.02
    10   6     0.07   0.09  -0.15    -0.04   0.03   0.03     0.01  -0.02   0.03
    11   6    -0.03  -0.00  -0.00    -0.06   0.04  -0.06     0.08   0.06  -0.08
    12   6    -0.03  -0.00   0.01    -0.03   0.00  -0.09     0.08   0.05  -0.09
    13   6    -0.03  -0.00   0.02    -0.04  -0.02  -0.05     0.06   0.04  -0.05
    14   6     0.04   0.05  -0.09    -0.03  -0.01   0.01     0.04   0.02  -0.03
    15   6    -0.04  -0.01   0.03    -0.02  -0.01  -0.09     0.03   0.03  -0.06
    16   6    -0.06  -0.03   0.11    -0.05  -0.02   0.00     0.00  -0.02   0.05
    17   6    -0.10  -0.06   0.21    -0.05  -0.02   0.01     0.00  -0.03   0.08
    18   6    -0.09  -0.05   0.14    -0.05  -0.02  -0.02     0.03   0.00   0.01
    19   6    -0.00  -0.01  -0.03     0.01  -0.03  -0.07    -0.01   0.04  -0.10
    20   6     0.01   0.02  -0.10     0.01  -0.06   0.09    -0.02   0.02  -0.05
    21   6    -0.00   0.03  -0.06    -0.01  -0.06   0.21    -0.03  -0.03   0.06
    22   6    -0.05  -0.01   0.07    -0.05  -0.03   0.15    -0.03  -0.05   0.12
    23   6     0.02  -0.04  -0.00     0.01  -0.03  -0.11    -0.02   0.06  -0.11
    24   6     0.02   0.04  -0.18     0.03  -0.09   0.19    -0.02   0.03  -0.06
    25   6     0.02   0.01  -0.12     0.04  -0.10   0.11    -0.02   0.02  -0.03
    26   6     0.02  -0.04  -0.01     0.02  -0.06  -0.04    -0.01   0.02  -0.01
    27   6     0.03  -0.06   0.07     0.01  -0.04  -0.05     0.01  -0.05   0.14
    28   6     0.04  -0.06   0.10     0.01  -0.02  -0.07     0.02  -0.07   0.17
    29   6     0.04  -0.04   0.05     0.03  -0.02  -0.09    -0.01   0.01   0.01
    30   6     0.03  -0.04   0.02     0.02  -0.02  -0.14    -0.03   0.07  -0.13
    31   1     0.13   0.14  -0.23    -0.04   0.03   0.07    -0.03  -0.06   0.08
    32   1     0.06   0.07  -0.12    -0.01  -0.04   0.05     0.03   0.02  -0.03
    33   1    -0.14  -0.09   0.30    -0.07  -0.03   0.05    -0.02  -0.07   0.16
    34   1    -0.12  -0.06   0.18    -0.07  -0.02  -0.01     0.03  -0.01   0.04
    35   1     0.02   0.06  -0.11    -0.01  -0.09   0.34    -0.05  -0.05   0.11
    36   1    -0.06  -0.02   0.13    -0.08  -0.02   0.23    -0.05  -0.10   0.22
    37   1     0.02   0.07  -0.26     0.05  -0.12   0.33    -0.02   0.03  -0.06
    38   1     0.03   0.02  -0.16     0.06  -0.13   0.18    -0.03   0.01   0.00
    39   1     0.02  -0.06   0.09     0.01  -0.06  -0.01     0.04  -0.09   0.24
    40   1     0.04  -0.07   0.14     0.01  -0.02  -0.06     0.04  -0.13   0.30
    41  35     0.07   0.05  -0.04     0.12   0.01   0.02    -0.03  -0.01   0.00
    42   1     0.04  -0.04   0.00     0.03  -0.01  -0.15    -0.06   0.12  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    132.9327               171.6393               193.4434
 Red. masses --      4.7831                 5.7294                 4.7327
 Frc consts  --      0.0498                 0.0994                 0.1043
 IR Inten    --      0.4082                 0.8018                 0.7538
 RamAct Fr= 1--      0.2614                 4.1626                 3.6745
  Dep-P Fr= 1--      0.7456                 0.6882                 0.6671
  Dep-U Fr= 1--      0.8543                 0.8153                 0.8003
 Alpha2 Fr= 1--      0.0000                 0.0045                 0.0054
 Beta2  Fr= 1--      0.0372                 0.5656                 0.4901
 AlphaG Fr= 1--      0.0038                 0.0387                -0.0528
 Gamma2 Fr= 1--     -1.3573                 1.4153                 0.7764
 Delta2 Fr= 1--     -0.5897                -0.3092                -0.7561
 Raman1 Fr= 1--       1.046                 16.650                 14.698
 ROA1   Fr= 1--    -149.175                125.977                 50.335
 CID1   Fr= 1--    -142.680                  7.566                  3.425
 Raman2 Fr= 1--       0.447                  6.787                  5.882
 ROA2   Fr= 1--     -27.858                 36.442                 24.682
 CID2   Fr= 1--     -62.380                  5.369                  4.196
 Raman3 Fr= 1--       0.893                 13.575                 11.763
 ROA3   Fr= 1--    -149.175                125.977                 50.335
 CID3   Fr= 1--    -167.015                  9.280                  4.279
 RC180  Fr= 1--       0.709                  0.631                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.06   0.03  -0.05     0.21   0.15   0.04     0.06  -0.02   0.14
     2   6     0.04   0.01  -0.03     0.13   0.08   0.05     0.05  -0.03   0.09
     3   6    -0.03  -0.06   0.05     0.18   0.05  -0.02    -0.00  -0.16   0.17
     4   1    -0.07  -0.11   0.10     0.31   0.12  -0.10    -0.06  -0.28   0.29
     5   6    -0.05  -0.09   0.08     0.07  -0.06   0.03     0.04  -0.10   0.05
     6   1    -0.11  -0.16   0.16     0.09  -0.11   0.01     0.02  -0.17   0.08
     7   6     0.01  -0.02   0.00    -0.05  -0.09   0.09     0.11   0.04  -0.11
     8   1    -0.01  -0.04   0.01    -0.13  -0.15   0.09     0.14   0.07  -0.22
     9   6     0.06   0.04  -0.06    -0.05   0.00   0.08     0.08   0.08  -0.06
    10   6     0.06   0.04  -0.07     0.01   0.09  -0.04    -0.00   0.02   0.03
    11   6     0.06   0.04  -0.06    -0.02   0.03   0.11     0.06   0.06   0.01
    12   6     0.03   0.02  -0.04    -0.06   0.03   0.12     0.00   0.05   0.04
    13   6    -0.01  -0.02   0.06     0.01   0.08   0.01    -0.03   0.01   0.11
    14   6     0.02   0.00   0.01     0.06   0.14  -0.12    -0.08  -0.03   0.17
    15   6     0.02   0.01  -0.06    -0.10  -0.00   0.11    -0.01   0.03  -0.02
    16   6     0.02   0.01  -0.04    -0.08   0.00   0.05     0.01   0.04  -0.08
    17   6    -0.04  -0.05   0.13    -0.03   0.02  -0.00     0.04   0.07  -0.14
    18   6    -0.07  -0.08   0.19     0.03   0.08  -0.04     0.02   0.03   0.00
    19   6     0.01   0.02  -0.05    -0.08  -0.02   0.04    -0.04   0.03  -0.03
    20   6     0.01   0.01  -0.03    -0.07   0.01  -0.02    -0.05   0.01   0.04
    21   6     0.03   0.04  -0.16    -0.06   0.05  -0.11    -0.05  -0.02   0.09
    22   6     0.04   0.04  -0.17    -0.06   0.03  -0.07    -0.02   0.02  -0.02
    23   6     0.00   0.04  -0.04    -0.06  -0.08  -0.02    -0.05   0.02  -0.11
    24   6     0.01  -0.04   0.15    -0.03  -0.02   0.03    -0.04   0.01   0.01
    25   6     0.01  -0.05   0.20    -0.02  -0.09   0.07    -0.03   0.01  -0.06
    26   6     0.00   0.01   0.04    -0.05  -0.09   0.01    -0.04   0.00  -0.08
    27   6    -0.01   0.05  -0.04    -0.05  -0.10  -0.03    -0.02  -0.06   0.01
    28   6    -0.02   0.08  -0.12    -0.07  -0.09  -0.08    -0.03  -0.09   0.06
    29   6    -0.02   0.07  -0.10    -0.07  -0.09  -0.08    -0.05  -0.04  -0.06
    30   6    -0.01   0.07  -0.09    -0.08  -0.09  -0.07    -0.07   0.02  -0.17
    31   1     0.08   0.06  -0.11     0.04   0.12  -0.11    -0.02   0.01   0.04
    32   1    -0.01  -0.01   0.04     0.14   0.21  -0.26    -0.16  -0.08   0.28
    33   1    -0.07  -0.08   0.21    -0.01  -0.00  -0.05     0.08   0.09  -0.25
    34   1    -0.12  -0.14   0.32     0.10   0.10  -0.12     0.05   0.02   0.01
    35   1     0.03   0.06  -0.22    -0.04   0.08  -0.20    -0.07  -0.06   0.18
    36   1     0.06   0.06  -0.23    -0.04   0.05  -0.16    -0.01   0.01  -0.03
    37   1     0.00  -0.08   0.25    -0.01   0.01   0.04    -0.03   0.01   0.05
    38   1     0.00  -0.10   0.33     0.02  -0.11   0.12    -0.01   0.01  -0.07
    39   1    -0.01   0.04  -0.02    -0.03  -0.11  -0.02     0.01  -0.09   0.08
    40   1    -0.03   0.10  -0.17    -0.08  -0.09  -0.10    -0.01  -0.15   0.17
    41  35    -0.02  -0.02   0.03     0.09   0.01   0.00     0.03   0.01   0.00
    42   1    -0.01   0.07  -0.09    -0.09  -0.09  -0.06    -0.11   0.05  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.5002               261.4071               272.6638
 Red. masses --      4.9411                 6.1723                 5.5048
 Frc consts  --      0.1533                 0.2485                 0.2411
 IR Inten    --      0.0428                 1.6672                 0.5831
 RamAct Fr= 1--      0.7752                 1.1810                 6.8944
  Dep-P Fr= 1--      0.7114                 0.2450                 0.1425
  Dep-U Fr= 1--      0.8314                 0.3935                 0.2495
 Alpha2 Fr= 1--      0.0005                 0.0142                 0.1086
 Beta2  Fr= 1--      0.1074                 0.0775                 0.2867
 AlphaG Fr= 1--     -0.0248                 0.0927                -0.2430
 Gamma2 Fr= 1--      0.9565                -0.3626                 6.3384
 Delta2 Fr= 1--     -0.3499                -1.0456                 0.4140
 Raman1 Fr= 1--       3.101                  4.724                 27.578
 ROA1   Fr= 1--      80.623                -68.263                621.729
 CID1   Fr= 1--      26.002                -14.450                 22.545
 Raman2 Fr= 1--       1.289                  0.930                  3.440
 ROA2   Fr= 1--      25.755                 -0.337                148.809
 CID2   Fr= 1--      19.982                 -0.363                 43.255
 Raman3 Fr= 1--       2.578                  1.859                  6.881
 ROA3   Fr= 1--      80.623                -68.263                621.729
 CID3   Fr= 1--      31.276                -36.719                 90.360
 RC180  Fr= 1--       0.663                 -0.213                 -0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.11   0.13  -0.11     0.14   0.14  -0.04    -0.09  -0.11   0.18
     2   6     0.07   0.09  -0.08     0.09   0.09  -0.05    -0.08  -0.09   0.14
     3   6     0.05   0.07  -0.06     0.02  -0.03   0.04     0.01  -0.05   0.04
     4   1     0.09   0.11  -0.11    -0.00  -0.09   0.10     0.05  -0.05   0.04
     5   6    -0.05  -0.03   0.06    -0.02  -0.07   0.05     0.09   0.04  -0.09
     6   1    -0.11  -0.10   0.13    -0.08  -0.17   0.12     0.21   0.14  -0.24
     7   6    -0.06  -0.03   0.05     0.01   0.03  -0.06    -0.00  -0.02  -0.01
     8   1    -0.11  -0.08   0.11    -0.02   0.00  -0.08     0.03   0.01  -0.08
     9   6     0.01   0.05  -0.03     0.03   0.11  -0.08    -0.08  -0.08   0.10
    10   6     0.06   0.09  -0.11    -0.05   0.04   0.04    -0.05  -0.05   0.06
    11   6     0.01   0.04  -0.03     0.05   0.12  -0.08    -0.07  -0.05   0.10
    12   6    -0.03  -0.00   0.01     0.02   0.08  -0.06     0.02   0.03  -0.00
    13   6    -0.06  -0.04   0.08    -0.00   0.06  -0.01     0.06   0.06  -0.07
    14   6     0.02   0.03  -0.02    -0.07   0.01   0.09     0.04   0.05  -0.08
    15   6    -0.00  -0.01  -0.04    -0.03   0.04  -0.05     0.03   0.04  -0.04
    16   6     0.03   0.03  -0.15    -0.06  -0.02   0.01     0.01   0.00   0.00
    17   6    -0.01   0.01  -0.06    -0.02  -0.01  -0.03    -0.02  -0.04   0.12
    18   6    -0.08  -0.07   0.13     0.02   0.04  -0.05     0.02   0.01   0.02
    19   6     0.00  -0.02   0.06    -0.04   0.02  -0.04    -0.00   0.06  -0.07
    20   6    -0.01  -0.06   0.16    -0.07  -0.00  -0.11    -0.05   0.00   0.01
    21   6    -0.01  -0.05   0.11    -0.08  -0.03  -0.03    -0.04  -0.01  -0.04
    22   6     0.03   0.04  -0.14    -0.10  -0.08   0.08     0.00  -0.01  -0.07
    23   6    -0.00  -0.01   0.03     0.01  -0.01   0.13    -0.02   0.12  -0.10
    24   6    -0.03  -0.04   0.11    -0.10  -0.02  -0.04    -0.10  -0.03   0.16
    25   6    -0.03   0.05  -0.14    -0.10  -0.04   0.10    -0.10   0.06   0.01
    26   6    -0.02   0.04  -0.11    -0.05  -0.01   0.13    -0.07   0.14  -0.12
    27   6    -0.01   0.02  -0.08    -0.06   0.06   0.01    -0.04   0.09  -0.02
    28   6     0.02  -0.05   0.12    -0.01   0.12  -0.04     0.02   0.02   0.16
    29   6     0.04  -0.08   0.17     0.09   0.02   0.12     0.06   0.03   0.08
    30   6     0.03  -0.06   0.14     0.10  -0.02   0.25     0.03   0.10  -0.02
    31   1     0.13   0.15  -0.20    -0.10  -0.01   0.13    -0.07  -0.06   0.09
    32   1     0.05   0.04  -0.06    -0.14  -0.05   0.21     0.06   0.09  -0.16
    33   1    -0.01   0.02  -0.08    -0.01  -0.03  -0.04    -0.06  -0.09   0.25
    34   1    -0.12  -0.12   0.24     0.07   0.04  -0.07     0.01  -0.01   0.07
    35   1    -0.02  -0.07   0.18    -0.09  -0.04  -0.00    -0.06  -0.03  -0.06
    36   1     0.05   0.09  -0.24    -0.12  -0.14   0.19     0.02  -0.03  -0.12
    37   1    -0.03  -0.07   0.18    -0.11  -0.02  -0.06    -0.12  -0.12   0.35
    38   1    -0.03   0.09  -0.27    -0.14  -0.05   0.16    -0.14   0.04   0.09
    39   1    -0.03   0.05  -0.16    -0.10   0.10  -0.08    -0.03   0.08  -0.00
    40   1     0.03  -0.07   0.17    -0.07   0.27  -0.18     0.02   0.00   0.33
    41  35     0.01   0.00  -0.03     0.07  -0.08  -0.06     0.06  -0.06  -0.05
    42   1     0.04  -0.07   0.16     0.14  -0.05   0.30     0.01   0.10  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    278.7402               289.9738               320.8722
 Red. masses --      5.1786                 6.6874                 4.5038
 Frc consts  --      0.2371                 0.3313                 0.2732
 IR Inten    --      0.6724                 1.4681                 0.5168
 RamAct Fr= 1--      4.3428                 3.5931                 2.1374
  Dep-P Fr= 1--      0.2438                 0.5078                 0.2887
  Dep-U Fr= 1--      0.3921                 0.6736                 0.4481
 Alpha2 Fr= 1--      0.0524                 0.0171                 0.0227
 Beta2  Fr= 1--      0.2838                 0.4034                 0.1596
 AlphaG Fr= 1--     -0.1703                -0.0530                -0.0693
 Gamma2 Fr= 1--      3.1653                 1.3185                 3.9586
 Delta2 Fr= 1--     -1.7933                 0.1400                 0.6050
 Raman1 Fr= 1--      17.371                 14.372                  8.550
 ROA1   Fr= 1--     246.486                131.061                399.387
 CID1   Fr= 1--      14.189                  9.119                 46.714
 Raman2 Fr= 1--       3.406                  4.841                  1.915
 ROA2   Fr= 1--      90.314                 30.525                 90.167
 CID2   Fr= 1--      26.520                  6.306                 47.074
 Raman3 Fr= 1--       6.811                  9.681                  3.831
 ROA3   Fr= 1--     246.486                131.061                399.387
 CID3   Fr= 1--      36.189                 13.538                104.254
 RC180  Fr= 1--      -0.216                  0.347                 -0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.15    -0.10  -0.09  -0.13     0.02   0.04  -0.13
     2   6    -0.00   0.01   0.12    -0.05  -0.03  -0.09     0.02   0.03  -0.08
     3   6     0.10   0.01   0.01    -0.06   0.06  -0.08    -0.03   0.04  -0.03
     4   1     0.21   0.06  -0.04    -0.09   0.10  -0.12    -0.05   0.05  -0.04
     5   6     0.04  -0.04  -0.01    -0.07   0.04   0.00    -0.08  -0.02   0.06
     6   1     0.09  -0.05  -0.07    -0.11   0.07   0.05    -0.15  -0.07   0.15
     7   6    -0.06  -0.04   0.02    -0.01  -0.01   0.04     0.02   0.02  -0.01
     8   1    -0.09  -0.06  -0.04    -0.00  -0.01   0.14     0.04   0.03   0.03
     9   6    -0.08   0.02   0.06     0.04  -0.06  -0.03     0.06   0.01  -0.06
    10   6     0.02   0.12  -0.10     0.06  -0.04  -0.06     0.03   0.01  -0.06
    11   6    -0.10  -0.00   0.14     0.02  -0.07  -0.05     0.02  -0.03  -0.01
    12   6    -0.10  -0.03   0.12    -0.01  -0.06   0.03    -0.07  -0.09   0.11
    13   6    -0.11  -0.04   0.12    -0.02  -0.07   0.05    -0.07  -0.07   0.07
    14   6    -0.01   0.05  -0.04     0.02  -0.05  -0.00    -0.04  -0.05   0.05
    15   6     0.00  -0.02  -0.06     0.01  -0.02   0.13    -0.05  -0.06   0.18
    16   6     0.00  -0.02  -0.11     0.05   0.02   0.02    -0.06  -0.05   0.20
    17   6    -0.02  -0.00  -0.12     0.05   0.04  -0.03     0.01   0.03  -0.04
    18   6    -0.06  -0.05   0.03    -0.02  -0.04   0.05     0.02   0.05  -0.13
    19   6     0.05  -0.02  -0.11    -0.02   0.01   0.20     0.02  -0.05   0.02
    20   6     0.04  -0.05  -0.09    -0.05   0.02   0.13     0.03  -0.03  -0.03
    21   6     0.01  -0.10   0.10    -0.03   0.00   0.03     0.03   0.04  -0.13
    22   6    -0.02  -0.06   0.05     0.04   0.02  -0.06    -0.03  -0.01   0.03
    23   6     0.06   0.02  -0.05    -0.04   0.08   0.11     0.02   0.02  -0.09
    24   6     0.01  -0.04  -0.10    -0.09   0.11  -0.09     0.01  -0.07   0.08
    25   6    -0.00  -0.04   0.02    -0.11   0.14  -0.02    -0.00  -0.02   0.02
    26   6     0.04  -0.00   0.05    -0.06   0.07   0.16    -0.01   0.05  -0.13
    27   6     0.03   0.04   0.11    -0.04   0.01   0.16    -0.01   0.07  -0.05
    28   6     0.06   0.15  -0.02    -0.07   0.05  -0.03     0.06   0.04   0.13
    29   6     0.08   0.16  -0.08    -0.04   0.10  -0.18     0.08   0.07   0.05
    30   6     0.09   0.10  -0.07    -0.08   0.14  -0.09     0.06   0.07  -0.06
    31   1     0.14   0.24  -0.27     0.08  -0.02  -0.13     0.05   0.04  -0.12
    32   1     0.08   0.11  -0.16     0.02  -0.04  -0.02    -0.04  -0.06   0.07
    33   1     0.01   0.04  -0.19     0.07   0.10  -0.11     0.07   0.13  -0.24
    34   1    -0.02  -0.06   0.03    -0.07  -0.03   0.05     0.09   0.17  -0.38
    35   1     0.00  -0.14   0.28    -0.04  -0.00  -0.05     0.09   0.13  -0.30
    36   1    -0.05  -0.09   0.18     0.08   0.03  -0.18    -0.01   0.03  -0.06
    37   1    -0.00  -0.05  -0.14    -0.12   0.14  -0.32    -0.01  -0.13   0.22
    38   1    -0.04  -0.04   0.06    -0.14   0.20  -0.18    -0.02  -0.05   0.13
    39   1    -0.01   0.01   0.22     0.03  -0.04   0.26    -0.06   0.07  -0.02
    40   1     0.05   0.19  -0.01    -0.07   0.08   0.00     0.08   0.02   0.28
    41  35    -0.02  -0.02   0.00     0.10  -0.08  -0.03    -0.01  -0.01  -0.01
    42   1     0.15   0.07  -0.04    -0.15   0.16  -0.10     0.11   0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    337.5360               381.6756               415.6942
 Red. masses --      4.7187                 5.2936                 6.4502
 Frc consts  --      0.3167                 0.4544                 0.6567
 IR Inten    --      0.1115                 1.5314                 0.7206
 RamAct Fr= 1--      6.6007                 2.3779                43.0928
  Dep-P Fr= 1--      0.3795                 0.5144                 0.0665
  Dep-U Fr= 1--      0.5502                 0.6793                 0.1247
 Alpha2 Fr= 1--      0.0525                 0.0110                 0.8184
 Beta2  Fr= 1--      0.6052                 0.2692                 0.8953
 AlphaG Fr= 1--      0.0896                -0.0278                -1.6948
 Gamma2 Fr= 1--      1.7633                 1.1266                18.2564
 Delta2 Fr= 1--     -1.3210                -1.2150                 6.4425
 Raman1 Fr= 1--      26.403                  9.511                172.371
 ROA1   Fr= 1--     127.002                 69.279               1958.779
 CID1   Fr= 1--       4.810                  7.284                 11.364
 Raman2 Fr= 1--       7.263                  3.231                 10.743
 ROA2   Fr= 1--      52.886                 36.759                386.614
 CID2   Fr= 1--       7.282                 11.378                 35.987
 Raman3 Fr= 1--      14.526                  6.462                 21.486
 ROA3   Fr= 1--     127.002                 69.279               1958.779
 CID3   Fr= 1--       8.743                 10.722                 91.163
 RC180  Fr= 1--       0.100                  0.359                 -0.751
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09   0.12   0.07    -0.05  -0.16  -0.07    -0.10   0.02   0.04
     2   6     0.05   0.09   0.02     0.02  -0.11  -0.03    -0.06   0.05   0.04
     3   6     0.01  -0.03   0.07    -0.02   0.01   0.02    -0.03   0.06  -0.01
     4   1     0.00  -0.10   0.14    -0.13   0.04   0.01     0.04   0.04  -0.00
     5   6     0.01  -0.03  -0.00     0.07   0.09   0.07    -0.09   0.01  -0.08
     6   1     0.01  -0.09  -0.01     0.07   0.19   0.08    -0.08  -0.03  -0.09
     7   6    -0.01   0.05  -0.07     0.13   0.01   0.13    -0.10  -0.02  -0.05
     8   1    -0.03   0.04  -0.14     0.18   0.04   0.21    -0.11  -0.03  -0.00
     9   6    -0.06   0.09  -0.01     0.14  -0.10   0.06    -0.06   0.02  -0.07
    10   6    -0.12   0.02   0.10     0.04  -0.07   0.02    -0.09   0.04  -0.10
    11   6     0.00   0.12  -0.02     0.11  -0.09  -0.04     0.02   0.04   0.04
    12   6     0.01   0.04  -0.04     0.04  -0.01  -0.03     0.10   0.05   0.04
    13   6     0.03   0.08  -0.12    -0.01   0.03  -0.03    -0.00   0.09   0.05
    14   6    -0.03   0.05  -0.04     0.04   0.04  -0.03    -0.13   0.03  -0.00
    15   6    -0.05  -0.04   0.04    -0.01  -0.01  -0.01     0.20   0.03   0.05
    16   6    -0.05  -0.05   0.03    -0.05   0.14  -0.02     0.23   0.06   0.08
    17   6    -0.07  -0.06   0.09    -0.07   0.16  -0.00     0.11   0.15   0.09
    18   6    -0.00   0.02  -0.05    -0.09   0.12   0.05     0.03   0.12   0.06
    19   6     0.03  -0.10   0.13    -0.00  -0.05  -0.08     0.13  -0.03   0.01
    20   6     0.03  -0.13   0.17    -0.00  -0.04  -0.02     0.08  -0.09  -0.05
    21   6     0.04  -0.06  -0.00    -0.03   0.09   0.08     0.12  -0.07  -0.01
    22   6     0.01   0.01  -0.13    -0.06   0.15  -0.03     0.19  -0.06   0.02
    23   6     0.04  -0.08   0.04     0.01  -0.11  -0.08     0.05  -0.05  -0.03
    24   6     0.01  -0.08  -0.01    -0.04  -0.06  -0.04    -0.09  -0.09  -0.07
    25   6     0.01  -0.03  -0.16    -0.04  -0.11  -0.05    -0.12  -0.09   0.02
    26   6     0.02  -0.06   0.00    -0.07  -0.13  -0.04    -0.10  -0.06  -0.00
    27   6     0.01  -0.01   0.08    -0.12  -0.03   0.06    -0.14  -0.02  -0.02
    28   6     0.05   0.08   0.02    -0.04   0.11   0.01    -0.13  -0.03   0.03
    29   6     0.05   0.13  -0.10     0.06   0.08   0.00    -0.02  -0.06   0.01
    30   6     0.07   0.05  -0.07     0.10  -0.05   0.01     0.01  -0.08  -0.05
    31   1    -0.19  -0.05   0.27    -0.03  -0.14  -0.03    -0.09   0.04  -0.14
    32   1    -0.03   0.01   0.01     0.06   0.06  -0.07    -0.24   0.04   0.02
    33   1    -0.11  -0.12   0.19    -0.07   0.16  -0.01     0.08   0.27   0.13
    34   1     0.03   0.00  -0.03    -0.19   0.11   0.10    -0.00   0.13   0.06
    35   1     0.09   0.02  -0.12     0.03   0.13   0.20     0.12  -0.07  -0.01
    36   1     0.05   0.12  -0.33    -0.05   0.17  -0.07     0.22  -0.17   0.00
    37   1     0.01  -0.05  -0.13    -0.04  -0.06  -0.05    -0.15  -0.16  -0.14
    38   1    -0.01   0.05  -0.38     0.01  -0.12  -0.07    -0.13  -0.10   0.06
    39   1    -0.05  -0.03   0.17    -0.24  -0.04   0.15    -0.16  -0.00  -0.06
    40   1     0.05   0.10   0.08    -0.08   0.22   0.04    -0.15   0.02   0.04
    41  35    -0.02  -0.01   0.01    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    42   1     0.15   0.04  -0.08     0.24  -0.10   0.05    -0.01  -0.06  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    429.2723               437.9534               443.7107
 Red. masses --      3.9897                 3.6532                 5.3199
 Frc consts  --      0.4332                 0.4128                 0.6171
 IR Inten    --      0.4676                 2.8741                 1.6001
 RamAct Fr= 1--      6.5557                 1.8088                 1.9939
  Dep-P Fr= 1--      0.4353                 0.7429                 0.6623
  Dep-U Fr= 1--      0.6066                 0.8525                 0.7968
 Alpha2 Fr= 1--      0.0426                 0.0002                 0.0031
 Beta2  Fr= 1--      0.6627                 0.2570                 0.2648
 AlphaG Fr= 1--      0.0077                 0.0243                -0.0257
 Gamma2 Fr= 1--     -0.4397                 0.2892                -2.4345
 Delta2 Fr= 1--     -1.0023                -0.5373                -1.9735
 Raman1 Fr= 1--      26.223                  7.235                  7.976
 ROA1   Fr= 1--     -74.289                 10.569               -296.867
 CID1   Fr= 1--      -2.833                  1.461                -37.222
 Raman2 Fr= 1--       7.953                  3.084                  3.178
 ROA2   Fr= 1--      -2.535                 11.239                -42.640
 CID2   Fr= 1--      -0.319                  3.644                -13.419
 Raman3 Fr= 1--      15.906                  6.168                  6.355
 ROA3   Fr= 1--     -74.289                 10.569               -296.867
 CID3   Fr= 1--      -4.671                  1.714                -46.713
 RC180  Fr= 1--       0.213                  0.705                  0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.24  -0.21   0.22     0.14   0.20  -0.22    -0.06  -0.08  -0.12
     2   6    -0.14  -0.10   0.10     0.04   0.09  -0.09    -0.00  -0.02  -0.06
     3   6     0.03   0.02  -0.11    -0.05  -0.02   0.00    -0.08   0.01   0.01
     4   1     0.13   0.06  -0.16    -0.03  -0.03   0.01    -0.15  -0.01   0.04
     5   6    -0.01  -0.02  -0.10    -0.09  -0.05  -0.01    -0.03   0.06  -0.02
     6   1    -0.01  -0.02  -0.10    -0.10  -0.07   0.00    -0.03   0.12  -0.03
     7   6    -0.13  -0.13   0.05     0.02   0.05  -0.13     0.03  -0.00   0.01
     8   1    -0.28  -0.27   0.20     0.13   0.16  -0.25     0.09   0.04   0.08
     9   6     0.02   0.06  -0.09    -0.07  -0.05   0.01     0.04  -0.10  -0.00
    10   6     0.10   0.04  -0.06     0.00  -0.07   0.02    -0.07  -0.08  -0.03
    11   6    -0.01   0.04  -0.03    -0.06  -0.04   0.06     0.09  -0.04  -0.03
    12   6     0.04   0.08  -0.05    -0.03  -0.02   0.09     0.03   0.07   0.08
    13   6     0.09   0.03   0.05     0.05  -0.02   0.05    -0.02   0.12   0.08
    14   6    -0.01  -0.06   0.15     0.04  -0.02  -0.04    -0.06   0.12  -0.05
    15   6    -0.04   0.05  -0.01     0.01   0.02   0.03     0.01   0.05   0.11
    16   6    -0.05   0.02   0.05     0.03   0.01   0.02     0.04   0.01   0.01
    17   6     0.08  -0.01   0.03     0.07  -0.01   0.05     0.03   0.06  -0.02
    18   6     0.13   0.03   0.03     0.08   0.01   0.02     0.00   0.06   0.09
    19   6    -0.04   0.03  -0.01    -0.01   0.05  -0.10    -0.03   0.05   0.03
    20   6    -0.06   0.02   0.04    -0.02   0.04  -0.00    -0.16  -0.07  -0.03
    21   6    -0.07   0.03  -0.03    -0.02   0.01   0.03    -0.20  -0.14  -0.01
    22   6    -0.07   0.02  -0.01     0.03   0.02  -0.03    -0.08  -0.13  -0.09
    23   6    -0.00  -0.05  -0.02    -0.02   0.02  -0.11     0.03   0.05   0.03
    24   6    -0.00  -0.01   0.06    -0.01   0.02   0.07    -0.02  -0.11  -0.03
    25   6     0.03  -0.03  -0.08     0.00   0.03  -0.06     0.01  -0.10  -0.02
    26   6     0.01  -0.05  -0.05    -0.02   0.01  -0.08     0.14   0.03   0.01
    27   6     0.02  -0.04   0.06     0.01  -0.09   0.17     0.20   0.00  -0.03
    28   6     0.04   0.05  -0.02    -0.03   0.04  -0.09     0.16  -0.04  -0.05
    29   6     0.03   0.06  -0.05    -0.01   0.03  -0.08     0.04  -0.01  -0.01
    30   6     0.06  -0.02   0.03     0.04  -0.09   0.14     0.01   0.04   0.01
    31   1     0.13   0.06  -0.03     0.04  -0.02   0.01    -0.16  -0.15  -0.10
    32   1    -0.15  -0.13   0.31     0.04   0.04  -0.13    -0.14   0.21  -0.16
    33   1     0.11  -0.09  -0.02     0.08  -0.03   0.03     0.05   0.09  -0.07
    34   1     0.15   0.03   0.02     0.09   0.03  -0.03     0.05   0.03   0.13
    35   1    -0.06   0.06  -0.09    -0.05  -0.02   0.07    -0.24  -0.19   0.03
    36   1    -0.05   0.02  -0.07     0.04   0.01  -0.07    -0.03  -0.25  -0.18
    37   1     0.05   0.04   0.12    -0.00  -0.00   0.19     0.05  -0.03   0.02
    38   1     0.06  -0.02  -0.15     0.04   0.01  -0.03    -0.11  -0.08   0.01
    39   1    -0.03  -0.07   0.17     0.04  -0.19   0.43     0.25   0.00  -0.05
    40   1     0.03   0.06  -0.00    -0.03   0.06  -0.11     0.19  -0.12  -0.10
    41  35    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    42   1     0.14  -0.06   0.08     0.12  -0.21   0.37    -0.01   0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    446.3126               484.3024               495.1203
 Red. masses --      4.4477                 3.7316                 4.9061
 Frc consts  --      0.5220                 0.5157                 0.7086
 IR Inten    --      0.7696                 0.3737                 0.1571
 RamAct Fr= 1--      2.8106                 3.3986                 0.4790
  Dep-P Fr= 1--      0.2580                 0.6551                 0.5066
  Dep-U Fr= 1--      0.4102                 0.7916                 0.6725
 Alpha2 Fr= 1--      0.0326                 0.0058                 0.0023
 Beta2  Fr= 1--      0.1921                 0.4484                 0.0537
 AlphaG Fr= 1--      0.0020                 0.0162                -0.0119
 Gamma2 Fr= 1--      2.3996                -0.5486                -0.1945
 Delta2 Fr= 1--     -0.0767                -2.4879                -0.1456
 Raman1 Fr= 1--      11.242                 13.595                  1.916
 ROA1   Fr= 1--     227.906               -132.278                -23.335
 CID1   Fr= 1--      20.272                 -9.730                -12.180
 Raman2 Fr= 1--       2.306                  5.381                  0.644
 ROA2   Fr= 1--      58.203                  6.737                 -3.504
 CID2   Fr= 1--      25.242                  1.252                 -5.440
 Raman3 Fr= 1--       4.612                 10.761                  1.288
 ROA3   Fr= 1--     227.906               -132.278                -23.335
 CID3   Fr= 1--      49.420                -12.292                -18.112
 RC180  Fr= 1--      -0.180                  0.583                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.03   0.10  -0.07     0.01   0.02  -0.03    -0.10  -0.14  -0.01
     2   6    -0.01   0.07  -0.05    -0.02  -0.02   0.02    -0.01  -0.06  -0.00
     3   6    -0.06  -0.05  -0.01     0.05   0.06  -0.06    -0.02   0.03  -0.01
     4   1    -0.04  -0.11   0.04     0.13   0.15  -0.16    -0.07   0.03  -0.00
     5   6    -0.06  -0.04  -0.09    -0.06  -0.06   0.07    -0.00   0.05   0.01
     6   1    -0.04  -0.04  -0.13    -0.13  -0.12   0.16    -0.03   0.06   0.05
     7   6    -0.06  -0.01  -0.11     0.04   0.02  -0.04     0.03  -0.02   0.05
     8   1    -0.04   0.02  -0.18     0.06   0.04  -0.04     0.03  -0.04   0.18
     9   6    -0.10  -0.02   0.00     0.05   0.02  -0.05     0.09  -0.03  -0.04
    10   6     0.01  -0.08   0.07     0.04  -0.00  -0.03    -0.08  -0.01  -0.05
    11   6    -0.03   0.04  -0.02    -0.07  -0.08   0.09     0.08  -0.02  -0.03
    12   6    -0.01   0.02   0.04    -0.05  -0.04   0.07    -0.01   0.06   0.07
    13   6     0.11  -0.02   0.06     0.04   0.01  -0.06    -0.06   0.13   0.02
    14   6     0.11  -0.02  -0.06    -0.02  -0.06   0.07    -0.12   0.14   0.00
    15   6    -0.07  -0.00   0.10     0.00   0.00  -0.01    -0.04   0.01   0.07
    16   6    -0.03   0.04  -0.03    -0.01   0.04  -0.02     0.03  -0.16  -0.04
    17   6     0.12   0.00  -0.05    -0.04  -0.03   0.18    -0.06  -0.17  -0.03
    18   6     0.10  -0.04   0.16     0.06   0.08  -0.12     0.02  -0.07  -0.06
    19   6    -0.04  -0.01   0.06     0.00   0.02  -0.08    -0.06   0.06  -0.01
    20   6    -0.02   0.05  -0.00    -0.02  -0.03   0.02     0.02   0.14   0.05
    21   6    -0.04   0.04   0.08    -0.05  -0.04   0.15     0.07  -0.08   0.05
    22   6    -0.03   0.06  -0.01     0.01   0.07  -0.16     0.14  -0.08  -0.06
    23   6    -0.01  -0.07  -0.03     0.00   0.04  -0.04    -0.04  -0.05  -0.11
    24   6     0.03   0.07  -0.10    -0.00  -0.00  -0.10     0.05   0.20   0.01
    25   6     0.05  -0.09   0.09    -0.01  -0.03   0.06     0.09   0.03   0.06
    26   6    -0.01  -0.10   0.02     0.03  -0.00   0.09    -0.05  -0.08  -0.04
    27   6    -0.08   0.05  -0.12     0.03   0.04  -0.04    -0.09  -0.03   0.01
    28   6     0.02   0.06   0.09     0.01  -0.00  -0.01    -0.03   0.07   0.01
    29   6     0.06   0.03   0.11     0.02  -0.05   0.09     0.03   0.03   0.06
    30   6     0.04   0.04  -0.11    -0.02   0.03  -0.04     0.04  -0.03   0.00
    31   1     0.05  -0.05   0.17     0.03  -0.02  -0.00    -0.22  -0.12  -0.11
    32   1     0.11   0.04  -0.14    -0.09  -0.13   0.19    -0.22   0.16   0.01
    33   1     0.17  -0.07  -0.15    -0.10  -0.12   0.35    -0.07  -0.17   0.00
    34   1     0.07  -0.09   0.25     0.06   0.12  -0.20     0.20  -0.12  -0.05
    35   1    -0.04   0.03   0.14    -0.06  -0.08   0.30    -0.06  -0.20   0.04
    36   1    -0.03   0.09  -0.02     0.04   0.11  -0.30     0.14   0.00  -0.09
    37   1     0.07   0.15  -0.21    -0.00   0.04  -0.23     0.10   0.27  -0.02
    38   1     0.13  -0.13   0.15    -0.05  -0.01   0.05     0.28  -0.03   0.10
    39   1    -0.21   0.14  -0.28     0.03   0.09  -0.18    -0.18  -0.02   0.05
    40   1     0.00   0.12   0.11     0.00   0.02  -0.13    -0.06   0.15   0.01
    41  35    -0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    42   1     0.09   0.09  -0.25    -0.06   0.07  -0.11     0.14  -0.06   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    522.2632               527.7929               539.7651
 Red. masses --      3.8141                 4.3240                 3.5163
 Frc consts  --      0.6129                 0.7097                 0.6036
 IR Inten    --      7.5938                 8.3409                26.6497
 RamAct Fr= 1--      3.2458                 7.6719                 1.0050
  Dep-P Fr= 1--      0.1312                 0.0881                 0.5069
  Dep-U Fr= 1--      0.2320                 0.1619                 0.6728
 Alpha2 Fr= 1--      0.0526                 0.1383                 0.0048
 Beta2  Fr= 1--      0.1255                 0.2070                 0.1127
 AlphaG Fr= 1--     -0.2437                 0.0652                 0.0515
 Gamma2 Fr= 1--      0.7793                 1.8064                -1.0955
 Delta2 Fr= 1--      0.9321                 0.3231                -0.2380
 Raman1 Fr= 1--      12.983                 30.688                  4.020
 ROA1   Fr= 1--     104.637                183.752               -112.785
 CID1   Fr= 1--       8.059                  5.988                -28.056
 Raman2 Fr= 1--       1.506                  2.485                  1.352
 ROA2   Fr= 1--      11.246                 40.768                -24.387
 CID2   Fr= 1--       7.468                 16.409                -18.033
 Raman3 Fr= 1--       3.012                  4.969                  2.705
 ROA3   Fr= 1--     104.637                183.752               -112.785
 CID3   Fr= 1--      34.745                 36.979                -41.699
 RC180  Fr= 1--      -0.536                 -0.676                  0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.17  -0.14   0.17    -0.02  -0.01  -0.15     0.08   0.07  -0.03
     2   6    -0.06  -0.03   0.01    -0.01  -0.01  -0.10     0.05   0.05  -0.04
     3   6    -0.02  -0.06  -0.05    -0.08  -0.06  -0.04    -0.06  -0.09   0.08
     4   1    -0.08  -0.15   0.05    -0.12  -0.09  -0.01    -0.14  -0.19   0.19
     5   6     0.04   0.00  -0.08    -0.02   0.01  -0.06     0.10   0.06  -0.08
     6   1     0.01   0.00  -0.03    -0.01   0.10  -0.08     0.21   0.17  -0.22
     7   6    -0.04  -0.07   0.04     0.03  -0.05  -0.01    -0.06  -0.03   0.06
     8   1    -0.20  -0.22   0.16     0.07  -0.02  -0.01    -0.06  -0.03   0.00
     9   6     0.05   0.10  -0.05     0.00  -0.08   0.04    -0.08  -0.02   0.10
    10   6    -0.02   0.03   0.12     0.03  -0.03   0.01     0.04   0.07  -0.03
    11   6     0.06   0.10  -0.11     0.03  -0.02  -0.02     0.03   0.06  -0.07
    12   6    -0.05  -0.03   0.04    -0.04   0.08   0.09     0.02  -0.02  -0.07
    13   6    -0.00  -0.01  -0.01     0.01   0.10   0.18    -0.08  -0.10   0.06
    14   6     0.08   0.06  -0.03     0.01   0.12   0.06     0.00  -0.05   0.03
    15   6    -0.06  -0.05   0.14    -0.05   0.02  -0.10     0.04   0.01  -0.02
    16   6    -0.04  -0.01   0.04    -0.12  -0.03  -0.01     0.02  -0.03   0.14
    17   6    -0.01   0.01  -0.03    -0.03  -0.08   0.01     0.01   0.02   0.04
    18   6    -0.02  -0.02   0.03     0.13   0.07   0.01    -0.03  -0.01  -0.08
    19   6     0.05  -0.04  -0.04     0.06  -0.03  -0.12    -0.01   0.05  -0.07
    20   6     0.08  -0.06  -0.06     0.12  -0.07   0.00    -0.05   0.00   0.11
    21   6     0.06  -0.05   0.11     0.13   0.01  -0.01    -0.05  -0.01   0.02
    22   6     0.01   0.05  -0.08    -0.06   0.04   0.01     0.04  -0.00  -0.06
    23   6    -0.00   0.10  -0.10     0.05  -0.01   0.09    -0.02   0.03  -0.09
    24   6     0.00  -0.04  -0.10     0.02  -0.08   0.06    -0.02   0.04  -0.01
    25   6    -0.04   0.04   0.10    -0.03   0.08  -0.08     0.01  -0.01  -0.01
    26   6    -0.01   0.12  -0.05    -0.00   0.01   0.13     0.02  -0.04   0.08
    27   6     0.04  -0.00   0.05    -0.03   0.03   0.00     0.01  -0.02   0.03
    28   6    -0.03  -0.04  -0.05    -0.07  -0.02   0.00     0.00   0.03  -0.07
    29   6    -0.02  -0.05   0.00    -0.03  -0.04   0.02     0.04  -0.06   0.14
    30   6    -0.02  -0.02   0.08    -0.04   0.02  -0.05     0.01   0.00  -0.03
    31   1    -0.10  -0.05   0.31     0.04  -0.02  -0.15     0.18   0.20  -0.19
    32   1     0.13   0.03  -0.01    -0.03   0.24  -0.10     0.13  -0.01  -0.07
    33   1     0.03   0.03  -0.13     0.02  -0.21  -0.07     0.04   0.15  -0.08
    34   1    -0.01  -0.00  -0.01     0.33   0.08  -0.10    -0.01   0.10  -0.30
    35   1     0.11  -0.02   0.21     0.22   0.09   0.03    -0.06  -0.00  -0.13
    36   1     0.02   0.16  -0.19    -0.10   0.18   0.06     0.10   0.02  -0.28
    37   1    -0.08  -0.14  -0.08    -0.06  -0.16   0.02     0.02   0.12  -0.14
    38   1    -0.13  -0.01   0.30    -0.10   0.17  -0.29     0.02   0.02  -0.14
    39   1     0.15  -0.06   0.16    -0.00   0.09  -0.17    -0.01   0.02  -0.07
    40   1    -0.02  -0.07  -0.07    -0.08   0.01  -0.10    -0.03   0.13  -0.28
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   1    -0.05  -0.07   0.21    -0.14   0.09  -0.18     0.01   0.04  -0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --    544.7328               575.3028               588.1071
 Red. masses --      6.1560                 3.3634                 3.9451
 Frc consts  --      1.0763                 0.6559                 0.8039
 IR Inten    --      1.4138                 0.2650                10.1792
 RamAct Fr= 1--      8.4467                 3.1166                 3.2996
  Dep-P Fr= 1--      0.2023                 0.1202                 0.2927
  Dep-U Fr= 1--      0.3366                 0.2146                 0.4529
 Alpha2 Fr= 1--      0.1140                 0.0519                 0.0346
 Beta2  Fr= 1--      0.4738                 0.1115                 0.2491
 AlphaG Fr= 1--     -0.1209                -0.9231                -0.2815
 Gamma2 Fr= 1--      1.2469                 1.0488                 1.1074
 Delta2 Fr= 1--      0.5174                 0.9844                 0.7396
 Raman1 Fr= 1--      33.787                 12.466                 13.198
 ROA1   Fr= 1--     136.260                132.188                129.978
 CID1   Fr= 1--       4.033                 10.603                  9.848
 Raman2 Fr= 1--       5.686                  1.338                  2.989
 ROA2   Fr= 1--      25.787                 17.297                 20.662
 CID2   Fr= 1--       4.536                 12.929                  6.913
 Raman3 Fr= 1--      11.371                  2.676                  5.977
 ROA3   Fr= 1--     136.260                132.188                129.978
 CID3   Fr= 1--      11.983                 49.405                 21.745
 RC180  Fr= 1--      -0.327                 -0.571                 -0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00  -0.06   0.13     0.15   0.13  -0.17    -0.07  -0.07   0.07
     2   6     0.12   0.04   0.16     0.05   0.03  -0.07     0.03   0.03  -0.03
     3   6     0.06   0.17   0.25    -0.05  -0.06   0.05    -0.03  -0.04   0.03
     4   1     0.03   0.09   0.33    -0.08  -0.05   0.04    -0.15  -0.18   0.18
     5   6    -0.01   0.14  -0.01     0.03   0.04  -0.03     0.04   0.04  -0.07
     6   1     0.08  -0.03  -0.12     0.14   0.16  -0.16     0.03   0.02  -0.06
     7   6    -0.16   0.08   0.03    -0.02  -0.02   0.04    -0.05  -0.03   0.04
     8   1    -0.13   0.08   0.22     0.08   0.08  -0.08    -0.16  -0.13   0.15
     9   6    -0.03  -0.08  -0.16    -0.07  -0.08   0.09     0.01   0.04  -0.03
    10   6    -0.05  -0.20  -0.19     0.07   0.05  -0.10    -0.00  -0.00   0.03
    11   6     0.14   0.07   0.00    -0.02  -0.03   0.01     0.06   0.07  -0.08
    12   6     0.07  -0.01   0.03     0.04   0.06  -0.08    -0.08  -0.07   0.11
    13   6     0.07  -0.04   0.03     0.02   0.05   0.00    -0.05  -0.08   0.06
    14   6    -0.09  -0.20  -0.14    -0.06  -0.02   0.12     0.03  -0.03  -0.03
    15   6    -0.05  -0.07  -0.01    -0.03   0.00  -0.02     0.03  -0.00  -0.01
    16   6    -0.10  -0.02  -0.01    -0.05  -0.00  -0.04     0.08   0.04  -0.06
    17   6    -0.01  -0.04  -0.02    -0.03  -0.04   0.03    -0.01  -0.01   0.14
    18   6     0.08   0.02   0.04     0.05   0.04  -0.03     0.02   0.03  -0.11
    19   6    -0.01  -0.05  -0.06     0.01  -0.04   0.12    -0.03   0.03  -0.04
    20   6     0.04  -0.03  -0.02     0.03  -0.03   0.01    -0.04   0.08  -0.14
    21   6     0.02   0.03   0.04     0.03  -0.02   0.04    -0.06  -0.00   0.05
    22   6    -0.06   0.07  -0.02    -0.03   0.03  -0.03     0.05   0.02  -0.06
    23   6    -0.03   0.03  -0.01    -0.00   0.01   0.00     0.01  -0.08   0.18
    24   6     0.04  -0.02  -0.01     0.00   0.01  -0.13     0.01   0.02   0.05
    25   6     0.01   0.05   0.00    -0.01  -0.03   0.13     0.03  -0.01  -0.04
    26   6    -0.00   0.04   0.02    -0.02   0.06  -0.12    -0.00  -0.04  -0.01
    27   6     0.01   0.01   0.02     0.00   0.01  -0.06    -0.03   0.02  -0.07
    28   6    -0.02   0.00  -0.02     0.02  -0.04   0.05     0.01  -0.02   0.10
    29   6    -0.02  -0.01   0.03    -0.02   0.05  -0.13    -0.04   0.09  -0.15
    30   6    -0.03   0.02   0.03     0.01  -0.02   0.08    -0.00  -0.01   0.04
    31   1    -0.05  -0.20  -0.15     0.16   0.14  -0.30     0.03   0.02   0.05
    32   1    -0.26  -0.15  -0.15    -0.11  -0.01   0.13     0.13   0.00  -0.11
    33   1     0.03  -0.16  -0.09    -0.05  -0.14   0.10    -0.05   0.01   0.23
    34   1     0.12   0.02   0.01     0.08   0.01   0.01     0.03   0.13  -0.30
    35   1     0.07   0.08   0.09     0.06   0.02   0.05    -0.16  -0.15   0.33
    36   1    -0.08   0.16  -0.04    -0.04   0.10  -0.05     0.04  -0.12   0.09
    37   1     0.01  -0.07   0.00    -0.02  -0.00  -0.18     0.05   0.01   0.24
    38   1    -0.02   0.06   0.01    -0.03  -0.10   0.34     0.08  -0.04  -0.01
    39   1     0.04   0.01   0.02     0.05  -0.07   0.13    -0.08   0.03  -0.08
    40   1    -0.02   0.00  -0.08     0.06  -0.16   0.32     0.04  -0.10   0.31
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   1    -0.06   0.03   0.02     0.05  -0.11   0.26     0.00   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    612.1256               627.9108               641.7888
 Red. masses --      7.2577                 4.2248                 5.0546
 Frc consts  --      1.6022                 0.9814                 1.2267
 IR Inten    --      8.8726                 0.4857                17.7752
 RamAct Fr= 1--      3.5666                 0.8901                 1.2087
  Dep-P Fr= 1--      0.1758                 0.6057                 0.4218
  Dep-U Fr= 1--      0.2991                 0.7544                 0.5934
 Alpha2 Fr= 1--      0.0516                 0.0024                 0.0083
 Beta2  Fr= 1--      0.1778                 0.1119                 0.1195
 AlphaG Fr= 1--     -0.1729                 0.0048                -0.0480
 Gamma2 Fr= 1--      1.1878                 0.1424                -2.1141
 Delta2 Fr= 1--      0.1276                -0.2368                 0.1081
 Raman1 Fr= 1--      14.266                  3.561                  4.835
 ROA1   Fr= 1--     118.113                  6.092               -199.493
 CID1   Fr= 1--       8.279                  1.711                -41.263
 Raman2 Fr= 1--       2.133                  1.343                  1.434
 ROA2   Fr= 1--      27.487                  5.311                -51.603
 CID2   Fr= 1--      12.885                  3.955                -35.978
 Raman3 Fr= 1--       4.266                  2.686                  2.869
 ROA3   Fr= 1--     118.113                  6.092               -199.493
 CID3   Fr= 1--      27.685                  2.268                -69.543
 RC180  Fr= 1--      -0.402                  0.509                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00   0.09  -0.05    -0.10  -0.12   0.08     0.05  -0.16   0.04
     2   6    -0.03   0.06  -0.01    -0.00  -0.03   0.00     0.04  -0.17   0.01
     3   6    -0.05  -0.03  -0.02     0.01   0.01  -0.01     0.10   0.03  -0.01
     4   1     0.02  -0.04  -0.01    -0.06  -0.06   0.07    -0.00   0.15  -0.12
     5   6    -0.02  -0.01  -0.05    -0.00   0.01  -0.01     0.04  -0.01   0.14
     6   1    -0.00   0.08  -0.07    -0.08  -0.08   0.08     0.04  -0.14   0.14
     7   6     0.03  -0.06   0.01    -0.01   0.01  -0.01    -0.05   0.15  -0.02
     8   1     0.07  -0.03  -0.03    -0.11  -0.09   0.13    -0.07   0.14  -0.08
     9   6     0.01  -0.00   0.05     0.04   0.03  -0.06    -0.06   0.01  -0.04
    10   6    -0.01   0.07  -0.02    -0.02  -0.07   0.06    -0.02  -0.06   0.03
    11   6     0.02   0.00   0.04     0.04   0.03  -0.04    -0.07  -0.03  -0.09
    12   6     0.08  -0.02  -0.00    -0.10  -0.02   0.10    -0.06   0.08  -0.11
    13   6     0.02   0.03  -0.04    -0.06  -0.04   0.13    -0.06  -0.03   0.07
    14   6    -0.03   0.02   0.03     0.05   0.02  -0.04     0.03   0.03  -0.04
    15   6     0.03  -0.08   0.02     0.06   0.02  -0.18    -0.00   0.12  -0.05
    16   6     0.04  -0.00  -0.02     0.04   0.06  -0.16    -0.04  -0.02   0.16
    17   6    -0.01   0.03  -0.00    -0.01  -0.01   0.09     0.09   0.00   0.01
    18   6    -0.01   0.05   0.02     0.06   0.05  -0.06     0.01  -0.07   0.03
    19   6    -0.09  -0.07  -0.00     0.02   0.00   0.15     0.06   0.10  -0.07
    20   6    -0.02  -0.07  -0.05    -0.02  -0.06   0.19     0.01  -0.01   0.06
    21   6    -0.07   0.01  -0.01    -0.02   0.04  -0.11    -0.00  -0.07   0.04
    22   6     0.02  -0.02  -0.00    -0.05  -0.02   0.10    -0.05  -0.03  -0.06
    23   6    -0.16   0.04  -0.03    -0.02   0.04  -0.12     0.09  -0.01   0.02
    24   6     0.28  -0.16  -0.03    -0.01  -0.00  -0.08     0.03   0.00  -0.04
    25   6     0.24  -0.07  -0.08     0.01  -0.08   0.07     0.05  -0.07   0.02
    26   6     0.09   0.01  -0.06     0.01   0.02  -0.08     0.06   0.01   0.01
    27   6    -0.02   0.21   0.13     0.02   0.03   0.03    -0.02   0.18  -0.01
    28   6    -0.15   0.15   0.05    -0.01   0.03  -0.02    -0.12   0.00   0.11
    29   6    -0.25   0.08   0.14    -0.01  -0.02   0.06    -0.10   0.04  -0.10
    30   6    -0.23   0.00   0.05    -0.00  -0.03  -0.00    -0.01  -0.14   0.02
    31   1    -0.01   0.07  -0.04    -0.02  -0.07   0.06    -0.00  -0.04   0.01
    32   1    -0.04  -0.03   0.10     0.12   0.13  -0.23     0.05   0.11  -0.16
    33   1    -0.03   0.03   0.05    -0.07  -0.10   0.27     0.18   0.14  -0.26
    34   1    -0.03   0.01   0.10     0.10   0.10  -0.17     0.05   0.02  -0.17
    35   1    -0.08  -0.01   0.02     0.03   0.12  -0.30     0.03  -0.01  -0.10
    36   1     0.04  -0.10   0.01    -0.08  -0.10   0.27     0.01   0.07  -0.32
    37   1     0.37  -0.10   0.08     0.03   0.11  -0.34     0.08   0.08  -0.12
    38   1     0.20  -0.07  -0.04    -0.00  -0.06   0.04     0.05  -0.06  -0.03
    39   1    -0.15   0.22   0.19     0.03  -0.03   0.17    -0.01   0.17   0.01
    40   1    -0.11   0.02  -0.06     0.00   0.00  -0.02    -0.07  -0.15   0.24
    41  35     0.04  -0.03  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1    -0.20   0.00   0.05     0.04  -0.08   0.10    -0.01  -0.17   0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    651.3480               683.1437               693.2163
 Red. masses --      4.4954                 6.0088                 5.4330
 Frc consts  --      1.1237                 1.6522                 1.5382
 IR Inten    --      2.5437                 5.1313                 0.2156
 RamAct Fr= 1--      0.2926                44.3061                 4.1347
  Dep-P Fr= 1--      0.3952                 0.0603                 0.0621
  Dep-U Fr= 1--      0.5665                 0.1137                 0.1170
 Alpha2 Fr= 1--      0.0022                 0.8539                 0.0793
 Beta2  Fr= 1--      0.0276                 0.8398                 0.0806
 AlphaG Fr= 1--      0.0234                -0.7987                -0.1517
 Gamma2 Fr= 1--      0.5091                 6.8908                -0.1071
 Delta2 Fr= 1--     -0.3591                 0.5229                -0.6652
 Raman1 Fr= 1--       1.170                177.224                 16.539
 ROA1   Fr= 1--      37.385                678.252                -31.570
 CID1   Fr= 1--      31.942                  3.827                 -1.909
 Raman2 Fr= 1--       0.332                 10.078                  0.968
 ROA2   Fr= 1--      15.092                161.197                  2.751
 CID2   Fr= 1--      45.522                 15.995                  2.843
 Raman3 Fr= 1--       0.663                 20.155                  1.935
 ROA3   Fr= 1--      37.385                678.252                -31.570
 CID3   Fr= 1--      56.383                 33.651                -16.314
 RC180  Fr= 1--       0.133                 -0.773                 -0.766
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.15  -0.05  -0.09     0.06  -0.21  -0.01    -0.03   0.01   0.01
     2   6     0.11  -0.09  -0.10     0.05  -0.21  -0.05    -0.01   0.02  -0.02
     3   6    -0.00  -0.06   0.06     0.07  -0.02  -0.04    -0.02  -0.01  -0.02
     4   1    -0.18  -0.03   0.04    -0.10   0.13  -0.16    -0.07  -0.04   0.01
     5   6     0.10   0.07   0.03     0.06   0.00   0.14     0.04   0.02   0.02
     6   1     0.17   0.05  -0.06     0.09  -0.10   0.10    -0.00   0.08   0.09
     7   6    -0.11   0.07   0.07    -0.10   0.17  -0.01     0.08  -0.03   0.05
     8   1    -0.13   0.05   0.02    -0.13   0.15  -0.14     0.07  -0.05   0.08
     9   6    -0.05   0.02  -0.03    -0.11   0.03  -0.00     0.03   0.02   0.02
    10   6     0.05   0.02  -0.05    -0.05   0.02   0.03    -0.16   0.11  -0.05
    11   6    -0.08  -0.05  -0.07    -0.06  -0.04  -0.12     0.00  -0.00   0.01
    12   6    -0.14   0.01   0.05    -0.02   0.03  -0.07    -0.01  -0.04   0.02
    13   6     0.03   0.04  -0.11    -0.03   0.01   0.10    -0.02  -0.01  -0.04
    14   6    -0.02  -0.02   0.06    -0.02   0.07   0.01    -0.14   0.04  -0.06
    15   6    -0.07   0.06   0.16     0.01  -0.04  -0.03     0.03  -0.00   0.01
    16   6     0.04   0.07  -0.12     0.05   0.00   0.02     0.04   0.01   0.02
    17   6     0.07  -0.01   0.04     0.08   0.00   0.07     0.18  -0.15  -0.01
    18   6     0.03  -0.04  -0.03     0.08   0.02   0.02     0.09  -0.24  -0.04
    19   6     0.07   0.04   0.12    -0.09  -0.09   0.02    -0.01   0.02  -0.04
    20   6     0.03   0.03  -0.10     0.02  -0.04  -0.07    -0.04  -0.01   0.02
    21   6     0.03  -0.03  -0.04     0.03   0.03   0.03    -0.05   0.25   0.06
    22   6    -0.05  -0.02   0.01     0.10   0.04   0.00     0.07   0.20   0.09
    23   6     0.08  -0.01  -0.03    -0.19   0.03   0.05     0.00   0.01   0.00
    24   6    -0.02  -0.02   0.05     0.08  -0.09  -0.03    -0.09  -0.10  -0.03
    25   6    -0.02  -0.01  -0.07     0.03   0.02  -0.02    -0.10  -0.14  -0.03
    26   6     0.03   0.02  -0.02    -0.09  -0.04  -0.06     0.04  -0.00   0.02
    27   6     0.01   0.05   0.11    -0.04  -0.22  -0.04     0.07   0.06  -0.00
    28   6    -0.07   0.05  -0.05     0.12   0.01  -0.07     0.04  -0.00   0.01
    29   6     0.01  -0.07   0.11     0.03   0.03   0.07    -0.03   0.01  -0.02
    30   6     0.01  -0.06  -0.11    -0.08   0.24   0.08    -0.02  -0.02   0.01
    31   1     0.02  -0.01   0.01     0.02   0.09  -0.08    -0.23   0.05  -0.11
    32   1    -0.12  -0.09   0.21     0.02   0.17  -0.16    -0.15   0.02  -0.02
    33   1    -0.02  -0.11   0.30     0.11   0.02  -0.00     0.17  -0.21   0.04
    34   1    -0.09  -0.13   0.19     0.13   0.06  -0.07     0.13  -0.30   0.06
    35   1     0.02  -0.08   0.19     0.02   0.01   0.09     0.02   0.34  -0.00
    36   1    -0.11  -0.10   0.26     0.10  -0.00   0.04     0.07   0.24   0.03
    37   1    -0.03  -0.08   0.24     0.03  -0.19   0.10    -0.08  -0.07  -0.09
    38   1    -0.02  -0.04   0.03     0.01  -0.02   0.12    -0.21  -0.10  -0.07
    39   1     0.02   0.07   0.07    -0.12  -0.23   0.01     0.08   0.07  -0.02
    40   1    -0.09   0.09  -0.25     0.08   0.14  -0.07     0.07  -0.08   0.00
    41  35    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.03  -0.02  -0.20    -0.08   0.26   0.02    -0.02  -0.02   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    707.6199               716.6099               756.0315
 Red. masses --      3.3499                 5.8104                 1.6197
 Frc consts  --      0.9883                 1.7580                 0.5455
 IR Inten    --      1.8000                 0.9941                12.9382
 RamAct Fr= 1--      1.1213                 3.6671                 4.2391
  Dep-P Fr= 1--      0.1698                 0.6248                 0.7498
  Dep-U Fr= 1--      0.2904                 0.7690                 0.8570
 Alpha2 Fr= 1--      0.0165                 0.0084                 0.0000
 Beta2  Fr= 1--      0.0543                 0.4700                 0.6055
 AlphaG Fr= 1--     -0.0636                -0.0060                 0.0043
 Gamma2 Fr= 1--     -2.3554                -2.1748                -9.0897
 Delta2 Fr= 1--     -0.1076                 0.6601                -1.3989
 Raman1 Fr= 1--       4.485                 14.668                 16.956
 ROA1   Fr= 1--    -229.555               -187.657               -917.376
 CID1   Fr= 1--     -51.179                -12.793                -54.102
 Raman2 Fr= 1--       0.651                  5.640                  7.266
 ROA2   Fr= 1--     -55.668                -57.476               -206.962
 CID2   Fr= 1--     -85.485                -10.190                -28.484
 Raman3 Fr= 1--       1.302                 11.281                 14.532
 ROA3   Fr= 1--    -229.555               -187.657               -917.376
 CID3   Fr= 1--    -176.255                -16.635                -63.128
 RC180  Fr= 1--      -0.419                  0.538                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.03   0.11     0.10   0.00  -0.12     0.17   0.20  -0.17
     2   6    -0.06   0.01   0.07     0.07  -0.05   0.01    -0.01   0.01   0.01
     3   6     0.03   0.06  -0.04     0.01   0.03   0.08    -0.04  -0.03   0.05
     4   1     0.11   0.05  -0.04     0.08   0.08   0.02     0.19   0.21  -0.21
     5   6    -0.06  -0.05   0.03    -0.07   0.01  -0.07    -0.02  -0.00   0.00
     6   1    -0.08  -0.04   0.05     0.04  -0.10  -0.23     0.20   0.24  -0.27
     7   6     0.07  -0.00  -0.05    -0.16   0.03  -0.06    -0.02  -0.05   0.05
     8   1     0.11   0.04  -0.08    -0.12   0.07  -0.07     0.16   0.11  -0.13
     9   6    -0.03  -0.04   0.07    -0.02  -0.03  -0.08     0.06   0.03  -0.06
    10   6    -0.03  -0.02   0.03     0.19  -0.11   0.05     0.01   0.00  -0.02
    11   6     0.07   0.06  -0.03    -0.01  -0.05   0.01    -0.02  -0.01   0.03
    12   6     0.10   0.04  -0.11    -0.01   0.05   0.03    -0.03   0.00   0.01
    13   6    -0.05  -0.05   0.10    -0.00   0.08  -0.01    -0.02  -0.02   0.02
    14   6    -0.00  -0.02  -0.01     0.14   0.10   0.11     0.03   0.05  -0.05
    15   6     0.00   0.01  -0.00     0.00   0.01  -0.00     0.03   0.03  -0.07
    16   6    -0.03  -0.01  -0.00     0.03  -0.08   0.02    -0.00   0.01   0.03
    17   6    -0.05  -0.06   0.03    -0.19  -0.04  -0.09     0.03  -0.01   0.03
    18   6     0.01  -0.01  -0.05    -0.11  -0.00  -0.03    -0.01  -0.05   0.02
    19   6     0.02  -0.00   0.15    -0.06   0.04  -0.03     0.02   0.01   0.03
    20   6     0.01   0.05  -0.11    -0.03   0.04   0.00     0.00  -0.01  -0.00
    21   6    -0.00   0.01   0.05     0.07   0.09   0.04    -0.02  -0.01   0.01
    22   6     0.00   0.05  -0.05     0.24   0.06   0.08    -0.03   0.01  -0.02
    23   6     0.05  -0.05   0.08    -0.04  -0.01   0.02     0.01  -0.01   0.06
    24   6    -0.06   0.03  -0.02    -0.13  -0.04  -0.02     0.02   0.00  -0.03
    25   6    -0.04  -0.03  -0.05    -0.10  -0.18  -0.06     0.02   0.00  -0.00
    26   6     0.02   0.03  -0.11     0.06  -0.02  -0.02    -0.02   0.01  -0.05
    27   6     0.04   0.03   0.09     0.11   0.07   0.01    -0.02  -0.03   0.01
    28   6    -0.02   0.04  -0.06     0.09   0.03   0.00    -0.02   0.01  -0.02
    29   6     0.00  -0.04   0.09    -0.08   0.04   0.02     0.02  -0.01   0.02
    30   6    -0.00  -0.03  -0.08    -0.07  -0.01   0.02     0.00   0.03  -0.01
    31   1     0.13   0.12  -0.22     0.10  -0.19   0.22    -0.23  -0.22   0.31
    32   1     0.15   0.12  -0.28     0.03   0.04   0.24    -0.16  -0.12   0.26
    33   1    -0.01  -0.03  -0.10    -0.20   0.08  -0.11     0.10   0.10  -0.20
    34   1     0.11   0.06  -0.23     0.01  -0.02  -0.07     0.08   0.08  -0.25
    35   1    -0.02  -0.04   0.22     0.02   0.06  -0.11     0.00   0.02  -0.00
    36   1    -0.03   0.06   0.05     0.25   0.14   0.00    -0.03  -0.00  -0.03
    37   1    -0.06  -0.09   0.36    -0.10  -0.03   0.04     0.02  -0.03   0.10
    38   1    -0.02  -0.17   0.33    -0.16  -0.19   0.01     0.03  -0.05   0.14
    39   1     0.05   0.01   0.14     0.07   0.08   0.02    -0.03  -0.05   0.06
    40   1    -0.02   0.03  -0.17     0.13  -0.10  -0.06    -0.03   0.04   0.00
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.03   0.03  -0.23    -0.04   0.01  -0.03    -0.04   0.06  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --    760.0697               764.9123               777.3879
 Red. masses --      1.8602                 4.9192                 1.6910
 Frc consts  --      0.6332                 1.6958                 0.6021
 IR Inten    --     11.5087                 5.0612                 6.0833
 RamAct Fr= 1--      2.2641                 1.0793                 1.0784
  Dep-P Fr= 1--      0.5776                 0.4382                 0.5294
  Dep-U Fr= 1--      0.7322                 0.6093                 0.6923
 Alpha2 Fr= 1--      0.0073                 0.0069                 0.0046
 Beta2  Fr= 1--      0.2763                 0.1096                 0.1244
 AlphaG Fr= 1--     -0.0951                -0.0622                 0.0315
 Gamma2 Fr= 1--     -7.0862                -0.1934                -3.1450
 Delta2 Fr= 1--     -1.8005                 0.4073                -0.0751
 Raman1 Fr= 1--       9.056                  4.317                  4.314
 ROA1   Fr= 1--    -737.892                 -5.530               -304.326
 CID1   Fr= 1--     -81.478                 -1.281                -70.551
 Raman2 Fr= 1--       3.316                  1.315                  1.493
 ROA2   Fr= 1--    -155.665                 -7.900                -74.880
 CID2   Fr= 1--     -46.947                 -6.006                -50.151
 Raman3 Fr= 1--       6.631                  2.631                  2.986
 ROA3   Fr= 1--    -737.892                 -5.530               -304.326
 CID3   Fr= 1--    -111.271                 -2.102               -101.911
 RC180  Fr= 1--       0.464                  0.219                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.05  -0.10     0.04   0.04  -0.01    -0.04   0.01   0.09
     2   6    -0.03  -0.06   0.02    -0.02   0.00  -0.08    -0.01   0.06   0.00
     3   6    -0.01  -0.02  -0.01    -0.03  -0.10  -0.08     0.01   0.01  -0.01
     4   1     0.17   0.23  -0.28    -0.19  -0.10  -0.06    -0.09  -0.15   0.16
     5   6    -0.02  -0.04   0.06     0.14   0.03   0.07     0.03   0.02  -0.02
     6   1     0.21   0.21  -0.24     0.02   0.07   0.22    -0.13  -0.10   0.19
     7   6    -0.03   0.01   0.02     0.04   0.03   0.07     0.05  -0.01   0.00
     8   1     0.16   0.19  -0.27    -0.08  -0.08   0.10    -0.05  -0.11   0.16
     9   6    -0.03   0.02   0.02     0.00   0.09  -0.01     0.01  -0.02   0.01
    10   6    -0.02   0.04  -0.00    -0.09   0.06  -0.04     0.02  -0.03  -0.02
    11   6     0.05   0.04  -0.06    -0.09  -0.01   0.03    -0.05  -0.01   0.03
    12   6     0.04  -0.01  -0.02    -0.01  -0.05   0.05    -0.02   0.04  -0.04
    13   6     0.00  -0.02   0.04     0.10  -0.01   0.02     0.00  -0.00  -0.02
    14   6    -0.00  -0.02  -0.02    -0.05  -0.13  -0.13     0.00  -0.01  -0.02
    15   6    -0.02  -0.06   0.07    -0.02  -0.07  -0.11    -0.03   0.06   0.00
    16   6     0.02  -0.00  -0.06    -0.05  -0.05   0.01    -0.01   0.01   0.02
    17   6    -0.04  -0.02   0.03    -0.05   0.05  -0.01     0.01  -0.01   0.04
    18   6     0.02   0.05   0.02     0.08   0.19   0.16    -0.03  -0.04   0.03
    19   6    -0.02  -0.02  -0.00    -0.05  -0.03  -0.03     0.01   0.03   0.03
    20   6    -0.01   0.01  -0.00     0.01   0.05   0.03     0.03   0.01  -0.01
    21   6     0.01   0.03  -0.05     0.09  -0.07   0.02     0.08  -0.02  -0.05
    22   6     0.03   0.01  -0.02     0.08  -0.04   0.02    -0.00   0.01  -0.06
    23   6    -0.01   0.01  -0.08    -0.02  -0.08   0.05    -0.03   0.02  -0.01
    24   6    -0.03  -0.01   0.06    -0.13   0.12  -0.01    -0.02  -0.03   0.04
    25   6    -0.02   0.01   0.02    -0.06  -0.04  -0.02    -0.01  -0.07   0.01
    26   6     0.02  -0.00   0.06     0.04  -0.00  -0.05    -0.00  -0.03  -0.02
    27   6     0.03   0.05  -0.02     0.11   0.08   0.04     0.00  -0.02  -0.03
    28   6     0.02  -0.01   0.02     0.09   0.05  -0.01     0.03   0.02  -0.02
    29   6    -0.01   0.01  -0.02    -0.07   0.03   0.04    -0.02   0.01   0.03
    30   6     0.01  -0.05   0.01    -0.05  -0.06  -0.03    -0.04   0.04   0.02
    31   1    -0.04   0.02   0.08    -0.10   0.05   0.12    -0.01  -0.06  -0.00
    32   1    -0.00  -0.04   0.00    -0.14  -0.20   0.02    -0.08  -0.06   0.08
    33   1     0.00  -0.01  -0.09     0.05  -0.05  -0.21     0.12   0.15  -0.31
    34   1     0.10   0.09  -0.11     0.15   0.24   0.05     0.06   0.10  -0.26
    35   1    -0.07  -0.11   0.28     0.06  -0.06  -0.21     0.03  -0.15   0.38
    36   1    -0.04  -0.12   0.34     0.09   0.08  -0.10    -0.11  -0.08   0.36
    37   1    -0.03   0.08  -0.25    -0.12   0.05   0.22    -0.00   0.09  -0.27
    38   1    -0.05   0.12  -0.27     0.01  -0.14   0.26    -0.01   0.03  -0.29
    39   1     0.05   0.05  -0.03     0.07   0.09   0.02    -0.01  -0.08   0.16
    40   1     0.03  -0.05   0.02     0.14  -0.08  -0.10     0.05  -0.05   0.11
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.07  -0.10   0.08    -0.00  -0.03  -0.14    -0.04   0.02   0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --    783.2196               795.4389               815.2457
 Red. masses --      3.0086                 1.6342                 2.0596
 Frc consts  --      1.0874                 0.6092                 0.8065
 IR Inten    --     12.3569                 1.3595                 4.5912
 RamAct Fr= 1--      2.9276                 1.2003                 0.8017
  Dep-P Fr= 1--      0.6235                 0.7286                 0.7450
  Dep-U Fr= 1--      0.7681                 0.8430                 0.8538
 Alpha2 Fr= 1--      0.0068                 0.0004                 0.0001
 Beta2  Fr= 1--      0.3748                 0.1686                 0.1141
 AlphaG Fr= 1--      0.0727                -0.0398                -0.0022
 Gamma2 Fr= 1--     -0.2620                -3.5950                -2.9763
 Delta2 Fr= 1--     -1.6969                 0.1626                -0.3831
 Raman1 Fr= 1--      11.710                  4.801                  3.207
 ROA1   Fr= 1--     -79.454               -339.922               -297.987
 CID1   Fr= 1--      -6.785                -70.798                -92.924
 Raman2 Fr= 1--       4.497                  2.024                  1.369
 ROA2   Fr= 1--       7.286                -87.582                -68.367
 CID2   Fr= 1--       1.620                -43.278                -49.938
 Raman3 Fr= 1--       8.994                  4.047                  2.738
 ROA3   Fr= 1--     -79.454               -339.922               -297.987
 CID3   Fr= 1--      -8.834                -83.984               -108.830
 RC180  Fr= 1--       0.536                  0.686                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.13   0.03    -0.02  -0.02   0.01    -0.27  -0.29   0.26
     2   6    -0.07   0.05   0.05    -0.00  -0.01   0.00     0.00  -0.00   0.00
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.05   0.07  -0.06
     4   1     0.20   0.15  -0.17     0.03   0.05  -0.05    -0.19  -0.19   0.22
     5   6    -0.01  -0.03   0.05    -0.01  -0.02   0.02    -0.03  -0.04   0.03
     6   1     0.16   0.25  -0.16     0.07   0.07  -0.08     0.00  -0.02  -0.00
     7   6     0.07  -0.06   0.04    -0.01  -0.00   0.01     0.01   0.00  -0.01
     8   1     0.23   0.09  -0.13     0.06   0.06  -0.09     0.20   0.18  -0.26
     9   6     0.03  -0.01   0.01    -0.01  -0.00   0.01    -0.10  -0.08   0.12
    10   6     0.01  -0.07  -0.01    -0.00   0.01   0.00     0.05   0.05  -0.07
    11   6     0.03   0.09  -0.05     0.03   0.02  -0.03     0.08   0.06  -0.08
    12   6    -0.09   0.05  -0.00    -0.02  -0.02   0.04    -0.04  -0.02   0.07
    13   6    -0.03  -0.03  -0.00     0.01   0.00  -0.02     0.03   0.01  -0.05
    14   6    -0.01  -0.08  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.02
    15   6    -0.07   0.10   0.06    -0.00  -0.00   0.00    -0.00   0.01   0.00
    16   6    -0.01   0.04  -0.03    -0.01  -0.01   0.02     0.01   0.01  -0.04
    17   6     0.06   0.04  -0.00     0.01   0.02  -0.03    -0.01  -0.01   0.02
    18   6     0.00  -0.01  -0.06     0.01   0.01  -0.01    -0.02  -0.01   0.03
    19   6     0.00   0.08  -0.03     0.00   0.01  -0.07     0.01   0.02  -0.05
    20   6     0.05   0.01   0.02    -0.00   0.01   0.01    -0.00  -0.01   0.06
    21   6     0.14  -0.09   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    22   6    -0.02  -0.04   0.03     0.01  -0.01   0.01    -0.01  -0.01   0.02
    23   6    -0.06   0.04  -0.02     0.02  -0.03   0.10     0.01   0.00   0.03
    24   6    -0.04   0.01  -0.01    -0.00   0.00   0.02     0.00   0.01  -0.03
    25   6    -0.02  -0.10  -0.06     0.00  -0.03   0.06     0.01  -0.01  -0.01
    26   6     0.01  -0.07   0.01    -0.01   0.02  -0.07    -0.00   0.01  -0.02
    27   6     0.01  -0.04  -0.01    -0.00   0.02  -0.04    -0.01  -0.01   0.01
    28   6     0.06  -0.00   0.03    -0.02   0.05  -0.10    -0.01  -0.01   0.01
    29   6    -0.06   0.05  -0.00     0.01  -0.04   0.07     0.00  -0.00  -0.01
    30   6    -0.07   0.06   0.07    -0.00   0.01  -0.02     0.00   0.01   0.01
    31   1     0.08  -0.00  -0.12     0.03   0.04  -0.03    -0.12  -0.11   0.23
    32   1     0.07   0.02  -0.19     0.04   0.01  -0.06    -0.19  -0.21   0.37
    33   1    -0.06  -0.05   0.35    -0.05  -0.06   0.16     0.04   0.07  -0.14
    34   1    -0.20  -0.10   0.20    -0.08  -0.07   0.19     0.06   0.08  -0.19
    35   1     0.21   0.01  -0.20    -0.00   0.00  -0.04     0.02   0.03  -0.11
    36   1    -0.01   0.14  -0.13     0.03   0.03  -0.10    -0.00  -0.01   0.01
    37   1    -0.02  -0.02   0.12     0.01   0.10  -0.25     0.01  -0.02   0.08
    38   1     0.03  -0.15   0.05     0.01   0.09  -0.27     0.02  -0.06   0.13
    39   1    -0.09   0.03  -0.17     0.08  -0.22   0.58    -0.02   0.02  -0.07
    40   1     0.05   0.03  -0.11     0.07  -0.18   0.41    -0.02   0.03  -0.06
    41  35     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.08   0.06   0.09    -0.06   0.09  -0.18    -0.03   0.04  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --    829.6371               838.9481               850.2296
 Red. masses --      4.6273                 2.3555                 2.1200
 Frc consts  --      1.8765                 0.9768                 0.9030
 IR Inten    --     17.9484                16.9697                 2.4520
 RamAct Fr= 1--      2.5157                 3.6420                 1.3223
  Dep-P Fr= 1--      0.7496                 0.1260                 0.2857
  Dep-U Fr= 1--      0.8569                 0.2238                 0.4444
 Alpha2 Fr= 1--      0.0000                 0.0598                 0.0141
 Beta2  Fr= 1--      0.3593                 0.1358                 0.0979
 AlphaG Fr= 1--     -0.0003                 0.0571                 0.0753
 Gamma2 Fr= 1--     -4.5423                 2.0068                 0.2655
 Delta2 Fr= 1--     -8.2075                 0.3432                -0.9787
 Raman1 Fr= 1--      10.063                 14.568                  5.289
 ROA1   Fr= 1--    -698.696                203.631                 -5.833
 CID1   Fr= 1--     -69.435                 13.978                 -1.103
 Raman2 Fr= 1--       4.311                  1.630                  1.175
 ROA2   Fr= 1--     -43.354                 45.417                 14.200
 CID2   Fr= 1--     -10.056                 27.865                 12.082
 Raman3 Fr= 1--       8.622                  3.260                  2.351
 ROA3   Fr= 1--    -698.696                203.631                 -5.833
 CID3   Fr= 1--     -81.034                 62.467                 -2.481
 RC180  Fr= 1--       0.714                 -0.552                 -0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.04  -0.17  -0.07     0.05   0.06  -0.05    -0.09  -0.09   0.10
     2   6     0.08  -0.06   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.02   0.09   0.08    -0.02  -0.03   0.01     0.01   0.00  -0.03
     4   1     0.04   0.05   0.12     0.08   0.10  -0.13    -0.09  -0.08   0.06
     5   6    -0.12  -0.01  -0.08     0.01  -0.00   0.01     0.01  -0.01   0.02
     6   1    -0.04  -0.09  -0.18     0.05   0.07  -0.05     0.05   0.05  -0.03
     7   6    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.02
     8   1     0.03   0.03  -0.03    -0.04  -0.03   0.03     0.09   0.09  -0.13
     9   6     0.02  -0.03   0.01     0.01   0.02  -0.02    -0.01   0.00   0.00
    10   6    -0.03   0.10   0.05    -0.02  -0.03   0.03     0.01   0.00  -0.02
    11   6     0.08  -0.07  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    12   6     0.00  -0.09   0.01    -0.03  -0.01   0.05    -0.02  -0.02   0.04
    13   6    -0.02  -0.01  -0.06     0.05   0.04  -0.08     0.00  -0.00   0.03
    14   6    -0.01   0.12   0.07    -0.03  -0.05   0.05     0.01  -0.00  -0.03
    15   6     0.02  -0.06  -0.08    -0.01   0.01   0.02     0.05   0.01  -0.10
    16   6    -0.04   0.04   0.08     0.00  -0.02   0.03    -0.04  -0.05   0.12
    17   6     0.16   0.07   0.04    -0.03  -0.01  -0.01    -0.01   0.01  -0.09
    18   6     0.00  -0.05  -0.03    -0.02  -0.00   0.03     0.02   0.03  -0.02
    19   6    -0.02  -0.08  -0.06     0.01   0.04  -0.10     0.02  -0.00   0.10
    20   6     0.05  -0.01   0.05    -0.02  -0.03   0.13    -0.01   0.04  -0.10
    21   6     0.08  -0.05  -0.06    -0.01   0.04  -0.07    -0.01   0.01   0.02
    22   6    -0.13   0.01  -0.09     0.04   0.01  -0.03     0.02   0.01  -0.04
    23   6    -0.06  -0.10   0.02     0.04  -0.01   0.10     0.01   0.03  -0.01
    24   6    -0.08   0.12   0.02     0.02  -0.01  -0.05    -0.00  -0.02   0.07
    25   6    -0.03   0.07   0.04     0.02  -0.04   0.02     0.01  -0.05   0.04
    26   6    -0.01  -0.01  -0.06    -0.02   0.06  -0.13    -0.01   0.02  -0.08
    27   6     0.09   0.01   0.03    -0.01  -0.03   0.07    -0.00  -0.03   0.05
    28   6     0.15   0.05   0.02    -0.04  -0.03   0.03    -0.01  -0.03   0.05
    29   6    -0.11   0.08   0.04     0.03  -0.02  -0.04     0.00   0.00  -0.02
    30   6    -0.07  -0.08  -0.02     0.02   0.03   0.02     0.00   0.03  -0.00
    31   1    -0.08   0.07  -0.03     0.19   0.16  -0.25    -0.08  -0.08   0.14
    32   1     0.13   0.11   0.04     0.14   0.11  -0.26    -0.06  -0.05   0.07
    33   1     0.13   0.07   0.14     0.03   0.06  -0.19    -0.12  -0.15   0.25
    34   1    -0.22  -0.09   0.15     0.02  -0.01   0.02    -0.08  -0.12   0.31
    35   1     0.10  -0.11   0.34    -0.09  -0.10   0.26    -0.05  -0.06   0.19
    36   1    -0.21  -0.05   0.22    -0.04  -0.15   0.35     0.03   0.03  -0.09
    37   1    -0.15   0.08  -0.06     0.05   0.04  -0.10     0.04   0.16  -0.36
    38   1     0.06   0.02   0.13     0.01  -0.08   0.13     0.01   0.07  -0.33
    39   1    -0.03   0.09  -0.12    -0.03   0.09  -0.27    -0.04   0.09  -0.25
    40   1     0.17  -0.01  -0.23    -0.12   0.17  -0.32    -0.08   0.16  -0.34
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.04  -0.07  -0.11    -0.09   0.14  -0.17    -0.01  -0.01   0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    855.3348               856.4748               865.9647
 Red. masses --      4.6408                 3.1863                 1.7331
 Frc consts  --      2.0004                 1.3771                 0.7657
 IR Inten    --      3.3355                 7.1146                91.6861
 RamAct Fr= 1--     13.3439                 5.2592                 0.7431
  Dep-P Fr= 1--      0.0726                 0.1041                 0.4802
  Dep-U Fr= 1--      0.1354                 0.1886                 0.6488
 Alpha2 Fr= 1--      0.2497                 0.0912                 0.0040
 Beta2  Fr= 1--      0.3012                 0.1653                 0.0804
 AlphaG Fr= 1--      0.2142                 0.0950                -0.0219
 Gamma2 Fr= 1--     -2.3844                 1.5255                -0.3837
 Delta2 Fr= 1--     -2.0143                 0.3721                -0.9038
 Raman1 Fr= 1--      53.376                 21.037                  2.972
 ROA1   Fr= 1--    -293.362                158.358                -65.759
 CID1   Fr= 1--      -5.496                  7.528                -22.123
 Raman2 Fr= 1--       3.614                  1.984                  0.964
 ROA2   Fr= 1--     -41.112                 33.636                 -1.979
 CID2   Fr= 1--     -11.375                 16.957                 -2.052
 Raman3 Fr= 1--       7.229                  3.967                  1.929
 ROA3   Fr= 1--    -293.362                158.358                -65.759
 CID3   Fr= 1--     -40.583                 39.917                -34.095
 RC180  Fr= 1--      -0.729                 -0.623                  0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.03   0.15   0.24     0.07   0.12  -0.02    -0.03  -0.01   0.05
     2   6    -0.08   0.12   0.04    -0.02   0.03   0.01    -0.01   0.02  -0.01
     3   6     0.02  -0.02  -0.04     0.00  -0.02  -0.01     0.01  -0.01  -0.02
     4   1     0.04  -0.08   0.02    -0.02  -0.06   0.03    -0.06  -0.07   0.05
     5   6     0.07  -0.02   0.08     0.04   0.02  -0.01     0.02  -0.00   0.01
     6   1     0.11   0.13   0.03    -0.11  -0.11   0.18     0.01  -0.00   0.03
     7   6     0.05  -0.01   0.04     0.02   0.02  -0.01    -0.01   0.00   0.01
     8   1     0.12   0.05  -0.04    -0.08  -0.07   0.10     0.03   0.04  -0.06
     9   6    -0.00  -0.05  -0.02    -0.01  -0.01   0.01    -0.01   0.00  -0.00
    10   6     0.10  -0.19  -0.05     0.04  -0.02  -0.04     0.02  -0.01  -0.02
    11   6    -0.07   0.12  -0.07    -0.06  -0.02   0.04    -0.02  -0.00   0.01
    12   6    -0.16   0.04   0.00     0.08   0.06  -0.13     0.02   0.01  -0.02
    13   6    -0.00   0.07  -0.05    -0.09  -0.06   0.14    -0.03  -0.02   0.07
    14   6    -0.01   0.04   0.06     0.05   0.04  -0.07     0.02   0.01  -0.03
    15   6    -0.05  -0.01  -0.09    -0.06  -0.02   0.15     0.01  -0.00  -0.00
    16   6     0.05  -0.01   0.07     0.03   0.03  -0.09    -0.02  -0.03   0.08
    17   6     0.08   0.04   0.03     0.02   0.01   0.01     0.01   0.02  -0.06
    18   6    -0.03  -0.04  -0.01     0.02   0.01  -0.08     0.02   0.03  -0.05
    19   6    -0.08  -0.11   0.02    -0.03  -0.00  -0.13    -0.00   0.00  -0.01
    20   6    -0.02  -0.04  -0.03     0.00  -0.02   0.05    -0.01  -0.02   0.09
    21   6    -0.07   0.04   0.01     0.01   0.00  -0.02     0.01   0.03  -0.07
    22   6     0.12   0.00  -0.00    -0.00  -0.01   0.04     0.02   0.03  -0.06
    23   6    -0.05  -0.11  -0.02     0.00  -0.07   0.09     0.00   0.02  -0.01
    24   6     0.04  -0.05  -0.02     0.01  -0.01   0.00     0.00   0.01  -0.06
    25   6    -0.02   0.20   0.07    -0.00   0.03   0.08     0.00   0.00  -0.07
    26   6    -0.02   0.04   0.02    -0.02   0.05  -0.12     0.01  -0.02   0.07
    27   6     0.04   0.03   0.01     0.03  -0.01   0.06    -0.01   0.02  -0.03
    28   6     0.07   0.04   0.00     0.03   0.00   0.03    -0.03   0.00  -0.03
    29   6    -0.01   0.02   0.02    -0.01   0.02  -0.01     0.02  -0.02  -0.00
    30   6     0.02  -0.13  -0.08     0.00  -0.03  -0.01     0.01   0.02   0.01
    31   1     0.08  -0.21  -0.24    -0.18  -0.22   0.27    -0.09  -0.12   0.15
    32   1    -0.16   0.19  -0.10    -0.19  -0.12   0.26    -0.08  -0.04   0.08
    33   1     0.08   0.18  -0.01    -0.09  -0.07   0.31    -0.11  -0.12   0.27
    34   1    -0.10  -0.03   0.02    -0.06  -0.04   0.05    -0.11  -0.14   0.32
    35   1    -0.14  -0.04   0.02     0.01   0.01  -0.06    -0.07  -0.13   0.38
    36   1     0.15  -0.16   0.05     0.02   0.01  -0.05    -0.07  -0.13   0.36
    37   1    -0.09  -0.19  -0.06    -0.03   0.04  -0.28     0.02  -0.08   0.30
    38   1    -0.15   0.22   0.11    -0.03   0.11  -0.12     0.01  -0.14   0.33
    39   1     0.05   0.04   0.01    -0.01   0.08  -0.18     0.03  -0.05   0.12
    40   1     0.10  -0.02  -0.02    -0.01   0.11  -0.29     0.01  -0.09   0.23
    41  35    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    42   1     0.22  -0.19  -0.05    -0.02   0.07  -0.24    -0.01   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    888.0190               928.7696               935.3448
 Red. masses --      1.8112                 2.7486                 1.9265
 Frc consts  --      0.8415                 1.3969                 0.9931
 IR Inten    --      3.8498                 7.0574                 7.6546
 RamAct Fr= 1--      0.2472                36.0540                13.6196
  Dep-P Fr= 1--      0.7406                 0.0747                 0.0704
  Dep-U Fr= 1--      0.8510                 0.1390                 0.1316
 Alpha2 Fr= 1--      0.0000                 0.6713                 0.2562
 Beta2  Fr= 1--      0.0351                 0.8353                 0.2987
 AlphaG Fr= 1--     -0.0054                 1.5371                 0.9804
 Gamma2 Fr= 1--      0.6625                -3.4676                -3.2297
 Delta2 Fr= 1--     -0.0742                -0.9065                 0.7828
 Raman1 Fr= 1--       0.989                144.216                 54.478
 ROA1   Fr= 1--      61.229               -361.896               -284.999
 CID1   Fr= 1--      61.912                 -2.509                 -5.231
 Raman2 Fr= 1--       0.421                 10.024                  3.584
 ROA2   Fr= 1--      16.495                -75.970                -83.774
 CID2   Fr= 1--      39.199                 -7.579                -23.373
 Raman3 Fr= 1--       0.842                 20.048                  7.168
 ROA3   Fr= 1--      61.229               -361.896               -284.999
 CID3   Fr= 1--      72.753                -18.051                -39.758
 RC180  Fr= 1--       0.702                 -0.722                 -0.737
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.23   0.23  -0.24     0.00  -0.05  -0.03    -0.01   0.03   0.03
     2   6    -0.04  -0.06   0.05     0.04  -0.02   0.01    -0.03   0.02  -0.01
     3   6    -0.04  -0.04   0.04     0.01   0.07   0.07    -0.01  -0.05  -0.04
     4   1     0.26   0.28  -0.31     0.05   0.05   0.09     0.00  -0.00  -0.10
     5   6     0.01   0.03  -0.03    -0.05   0.00  -0.04     0.04  -0.01   0.03
     6   1    -0.17  -0.15   0.20    -0.04  -0.02  -0.06     0.04   0.02   0.02
     7   6     0.07   0.06  -0.08     0.06  -0.06  -0.01    -0.04   0.05  -0.00
     8   1    -0.30  -0.30   0.40     0.08  -0.05   0.08    -0.09   0.00  -0.01
     9   6    -0.07  -0.06   0.09     0.02  -0.02   0.01    -0.02   0.01  -0.01
    10   6     0.03   0.02  -0.04    -0.02   0.05   0.01     0.02  -0.03  -0.01
    11   6     0.07   0.07  -0.07    -0.03  -0.02  -0.03     0.03   0.02   0.02
    12   6    -0.04  -0.01   0.05    -0.08  -0.00  -0.08     0.06  -0.00   0.04
    13   6     0.01   0.00  -0.01    -0.01  -0.03   0.01     0.01   0.02  -0.00
    14   6     0.01   0.00  -0.02     0.00   0.02   0.00    -0.00  -0.00   0.00
    15   6     0.01  -0.00  -0.04    -0.12  -0.03  -0.03     0.07   0.00   0.03
    16   6    -0.01  -0.01   0.03    -0.02  -0.00  -0.01     0.02   0.01  -0.00
    17   6     0.01   0.01  -0.02     0.06   0.04   0.05    -0.03  -0.02  -0.03
    18   6    -0.00  -0.00  -0.00     0.04   0.06   0.01    -0.03  -0.04  -0.01
    19   6     0.00  -0.00   0.02    -0.09  -0.03  -0.03     0.05   0.01  -0.04
    20   6    -0.00   0.00  -0.01    -0.02   0.02   0.00     0.01  -0.02   0.02
    21   6    -0.00   0.00  -0.00     0.03  -0.02   0.01    -0.02   0.02  -0.02
    22   6     0.01   0.00  -0.01     0.10  -0.01   0.01    -0.07   0.00   0.01
    23   6    -0.00   0.01  -0.01     0.00  -0.02   0.05     0.03  -0.02   0.05
    24   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
    25   6     0.00  -0.00  -0.01     0.00  -0.05  -0.01    -0.00   0.01   0.01
    26   6     0.00  -0.00   0.01     0.02   0.03  -0.02    -0.01  -0.01  -0.02
    27   6    -0.00   0.00  -0.00     0.02   0.05   0.06     0.00  -0.05   0.03
    28   6    -0.00  -0.00   0.00    -0.09  -0.04  -0.03     0.03   0.02  -0.04
    29   6     0.00  -0.00  -0.00     0.09  -0.07  -0.00    -0.05   0.02   0.07
    30   6     0.00  -0.00   0.01     0.02   0.11  -0.10    -0.06   0.05  -0.12
    31   1    -0.05  -0.05   0.09    -0.08  -0.00   0.03     0.04  -0.01  -0.02
    32   1    -0.11  -0.11   0.21     0.04  -0.01   0.03    -0.04   0.01  -0.01
    33   1    -0.02  -0.02   0.09     0.11   0.02  -0.06    -0.07  -0.01   0.05
    34   1    -0.02  -0.01   0.03    -0.12   0.05   0.12     0.08  -0.02  -0.11
    35   1    -0.01  -0.02   0.04    -0.05  -0.09  -0.13     0.02   0.03   0.15
    36   1     0.00  -0.01   0.01     0.09  -0.01   0.08    -0.04   0.02  -0.13
    37   1     0.00   0.01   0.01     0.05   0.05   0.02    -0.03   0.02  -0.00
    38   1     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.05  -0.01   0.02
    39   1     0.00  -0.00   0.01     0.10   0.13  -0.21    -0.09   0.07  -0.25
    40   1    -0.00  -0.00   0.01    -0.07  -0.10   0.14     0.08  -0.12   0.19
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.01   0.01  -0.02     0.19  -0.27   0.69     0.18  -0.36   0.72
                     55                     56                     57
                      A                      A                      A
 Frequencies --    938.8060               950.7624               952.9544
 Red. masses --      4.1303                 1.3158                 1.3181
 Frc consts  --      2.1448                 0.7008                 0.7052
 IR Inten    --      9.0743                 1.3880                 1.3299
 RamAct Fr= 1--      5.0125                11.1532                 7.2078
  Dep-P Fr= 1--      0.7059                 0.2269                 0.5263
  Dep-U Fr= 1--      0.8276                 0.3699                 0.6897
 Alpha2 Fr= 1--      0.0038                 0.1409                 0.0313
 Beta2  Fr= 1--      0.6914                 0.6876                 0.8285
 AlphaG Fr= 1--      0.0090                -1.0073                -0.2453
 Gamma2 Fr= 1--     -2.2192               -18.6041                -0.0647
 Delta2 Fr= 1--      1.1554                -6.5045                 0.6069
 Raman1 Fr= 1--      20.050                 44.613                 28.831
 ROA1   Fr= 1--    -176.065              -1994.139                 13.213
 CID1   Fr= 1--      -8.781                -44.699                  0.458
 Raman2 Fr= 1--       8.297                  8.251                  9.942
 ROA2   Fr= 1--     -62.503               -394.463                 -6.408
 CID2   Fr= 1--      -7.534                -47.807                 -0.645
 Raman3 Fr= 1--      16.593                 16.502                 19.884
 ROA3   Fr= 1--    -176.065              -1994.139                 13.213
 CID3   Fr= 1--     -10.611               -120.839                  0.664
 RC180  Fr= 1--       0.655                 -0.260                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.19  -0.11    -0.01  -0.03   0.01     0.08   0.08  -0.09
     2   6     0.08  -0.09  -0.03     0.01  -0.00  -0.00    -0.01  -0.02   0.02
     3   6    -0.01   0.05   0.04     0.00   0.01   0.01    -0.01  -0.01  -0.00
     4   1    -0.05   0.07   0.03    -0.02  -0.01   0.03     0.03   0.04  -0.05
     5   6    -0.08   0.01  -0.05    -0.02  -0.01   0.00     0.04   0.04  -0.05
     6   1    -0.06   0.06  -0.07     0.05   0.06  -0.07    -0.24  -0.24   0.30
     7   6     0.06  -0.06  -0.01     0.02  -0.01  -0.01    -0.03  -0.03   0.04
     8   1     0.07  -0.06   0.07    -0.01  -0.04   0.05     0.19   0.18  -0.24
     9   6     0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    10   6    -0.06   0.11   0.05    -0.01  -0.00   0.02     0.02   0.03  -0.04
    11   6     0.02  -0.04   0.02    -0.01  -0.00  -0.00     0.02   0.01  -0.00
    12   6    -0.04   0.12   0.03    -0.01   0.01  -0.01    -0.00   0.00   0.01
    13   6     0.01  -0.02   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.03  -0.16  -0.09     0.01   0.00  -0.02    -0.02  -0.04   0.04
    15   6    -0.03   0.19   0.00    -0.01   0.00  -0.00     0.00   0.01  -0.00
    16   6    -0.01  -0.03   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.05  -0.02  -0.07     0.01   0.02  -0.02    -0.02  -0.02   0.03
    18   6    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.01   0.01  -0.04
    19   6    -0.03   0.13   0.03    -0.01  -0.01   0.01     0.01   0.02   0.01
    20   6    -0.02  -0.03   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.01
    21   6    -0.00   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.03
    22   6     0.08   0.01  -0.02     0.01  -0.02   0.04     0.00   0.01  -0.02
    23   6    -0.01  -0.05   0.02    -0.01   0.00  -0.02    -0.00   0.00  -0.01
    24   6     0.09  -0.15  -0.07     0.00  -0.03   0.05     0.00  -0.02   0.01
    25   6    -0.02   0.12   0.06     0.00   0.02  -0.05    -0.00   0.01  -0.00
    26   6    -0.04   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.02  -0.07  -0.02     0.01  -0.02   0.06     0.00  -0.03   0.04
    28   6     0.09   0.05   0.01    -0.02   0.03  -0.07     0.00   0.03  -0.05
    29   6    -0.04   0.05   0.04     0.01  -0.01  -0.01    -0.01   0.01   0.00
    30   6    -0.02  -0.11  -0.09     0.01  -0.02   0.04    -0.00  -0.02   0.01
    31   1     0.13   0.27   0.13     0.07   0.08  -0.11    -0.16  -0.14   0.27
    32   1     0.12  -0.30   0.08    -0.05  -0.06   0.10     0.16   0.12  -0.27
    33   1    -0.13  -0.08   0.14    -0.05  -0.07   0.18     0.07   0.09  -0.23
    34   1     0.06   0.00  -0.03     0.07   0.09  -0.19    -0.08  -0.10   0.21
    35   1    -0.03  -0.02  -0.02    -0.04  -0.09   0.22     0.03   0.06  -0.15
    36   1     0.04  -0.04   0.16     0.07   0.08  -0.24    -0.03  -0.04   0.12
    37   1    -0.04  -0.33   0.04     0.01   0.11  -0.36    -0.00   0.01  -0.11
    38   1    -0.26   0.20  -0.00     0.00  -0.11   0.34    -0.01  -0.01   0.06
    39   1    -0.11  -0.06  -0.01    -0.05   0.15  -0.38    -0.06   0.10  -0.28
    40   1     0.08   0.08   0.02     0.06  -0.17   0.41     0.06  -0.11   0.29
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.22   0.07    -0.05   0.10  -0.21    -0.02   0.03  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --    956.7392               961.3895               966.7778
 Red. masses --      1.3342                 1.3445                 1.3261
 Frc consts  --      0.7196                 0.7322                 0.7303
 IR Inten    --      0.1877                 1.8985                 0.8722
 RamAct Fr= 1--      2.5375                 2.8151                 1.8647
  Dep-P Fr= 1--      0.7465                 0.7135                 0.3839
  Dep-U Fr= 1--      0.8548                 0.8328                 0.5548
 Alpha2 Fr= 1--      0.0002                 0.0018                 0.0146
 Beta2  Fr= 1--      0.3615                 0.3907                 0.1724
 AlphaG Fr= 1--     -0.0090                 0.0017                 0.0511
 Gamma2 Fr= 1--      4.9267                 8.7208                -9.0419
 Delta2 Fr= 1--     -0.7961                 2.2688                 0.9219
 Raman1 Fr= 1--      10.150                 11.260                  7.459
 ROA1   Fr= 1--     447.490                909.795               -838.520
 CID1   Fr= 1--      44.088                 80.797               -112.421
 Raman2 Fr= 1--       4.338                  4.689                  2.069
 ROA2   Fr= 1--     124.609                191.148               -224.381
 CID2   Fr= 1--      28.723                 40.767               -108.439
 Raman3 Fr= 1--       8.677                  9.378                  4.138
 ROA3   Fr= 1--     447.490                909.795               -838.520
 CID3   Fr= 1--      51.575                 97.017               -202.621
 RC180  Fr= 1--       0.710                  0.666                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.07  -0.08    -0.04  -0.05   0.03    -0.02  -0.02   0.02
     2   6    -0.01  -0.02   0.02     0.01   0.00  -0.01     0.01   0.01  -0.01
     3   6    -0.00   0.00   0.01     0.00   0.01   0.00     0.01   0.01   0.00
     4   1     0.04   0.04  -0.03    -0.02  -0.01   0.02    -0.03  -0.04   0.05
     5   6     0.03   0.04  -0.05    -0.02  -0.02   0.02    -0.02  -0.02   0.02
     6   1    -0.24  -0.24   0.28     0.11   0.12  -0.14     0.11   0.11  -0.14
     7   6    -0.02  -0.04   0.04     0.02   0.01  -0.03     0.02   0.01  -0.02
     8   1     0.22   0.19  -0.24    -0.11  -0.12   0.15    -0.10  -0.11   0.14
     9   6     0.00   0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    10   6     0.00   0.01  -0.01     0.02   0.03  -0.03     0.03   0.03  -0.05
    11   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    12   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.01
    13   6     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    14   6    -0.01  -0.01   0.02    -0.01  -0.03   0.02    -0.02  -0.02   0.05
    15   6    -0.01   0.00  -0.00    -0.00   0.02   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00     0.01   0.01  -0.02    -0.00   0.00  -0.01
    17   6     0.02   0.02  -0.03    -0.03  -0.03   0.05     0.00   0.00  -0.00
    18   6    -0.01  -0.02   0.05     0.02   0.03  -0.05    -0.00  -0.00   0.02
    19   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.00   0.02
    20   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    21   6     0.01   0.02  -0.06     0.00   0.02  -0.04     0.01   0.02  -0.05
    22   6     0.01  -0.02   0.05    -0.00  -0.02   0.05    -0.00  -0.02   0.04
    23   6    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.01  -0.02
    24   6     0.00  -0.00   0.00     0.01  -0.03   0.04     0.00   0.02  -0.07
    25   6    -0.00   0.00  -0.02    -0.00   0.03  -0.05    -0.00  -0.02   0.07
    26   6     0.00   0.00   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
    27   6    -0.00   0.02  -0.04    -0.01   0.00  -0.04     0.00  -0.01   0.03
    28   6    -0.00  -0.02   0.04     0.01  -0.01   0.03    -0.00   0.01  -0.02
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00   0.00  -0.01
    30   6     0.00   0.01  -0.02    -0.01  -0.00  -0.02     0.00  -0.01   0.02
    31   1    -0.04  -0.03   0.06    -0.12  -0.10   0.22    -0.19  -0.17   0.28
    32   1     0.08   0.05  -0.11     0.10   0.06  -0.16     0.16   0.14  -0.28
    33   1    -0.07  -0.09   0.24     0.11   0.12  -0.35    -0.01  -0.02   0.03
    34   1     0.11   0.13  -0.28    -0.12  -0.13   0.31     0.04   0.04  -0.08
    35   1    -0.06  -0.13   0.34    -0.04  -0.07   0.22    -0.04  -0.10   0.29
    36   1     0.09   0.11  -0.31     0.07   0.09  -0.29     0.06   0.09  -0.25
    37   1     0.01   0.01  -0.02     0.00   0.07  -0.31    -0.00  -0.13   0.40
    38   1    -0.01  -0.03   0.09    -0.00  -0.11   0.35    -0.03   0.14  -0.39
    39   1     0.05  -0.09   0.25     0.02  -0.09   0.20    -0.03   0.07  -0.17
    40   1    -0.05   0.10  -0.24    -0.02   0.08  -0.17     0.03  -0.06   0.15
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.04   0.10     0.03  -0.05   0.07    -0.03   0.05  -0.12
                     61                     62                     63
                      A                      A                      A
 Frequencies --    969.1075               992.4140              1016.1116
 Red. masses --      1.3416                 1.3112                 5.2684
 Frc consts  --      0.7424                 0.7609                 3.2049
 IR Inten    --      0.0444                 0.7215                 6.8018
 RamAct Fr= 1--      0.9757                 1.7193                11.2175
  Dep-P Fr= 1--      0.6275                 0.3467                 0.5269
  Dep-U Fr= 1--      0.7711                 0.5148                 0.6901
 Alpha2 Fr= 1--      0.0022                 0.0153                 0.0486
 Beta2  Fr= 1--      0.1254                 0.1475                 1.2903
 AlphaG Fr= 1--     -0.0036                -0.2700                 0.0918
 Gamma2 Fr= 1--      0.1400                -3.0688               -11.8922
 Delta2 Fr= 1--      0.6639                 0.3609                -0.0064
 Raman1 Fr= 1--       3.903                  6.877                 44.870
 ROA1   Fr= 1--      34.689               -283.060              -1141.856
 CID1   Fr= 1--       8.888                -41.158                -25.448
 Raman2 Fr= 1--       1.505                  1.770                 15.483
 ROA2   Fr= 1--      -1.950                -76.539               -285.361
 CID2   Fr= 1--      -1.296                -43.233                -18.431
 Raman3 Fr= 1--       3.010                  3.541                 30.966
 ROA3   Fr= 1--      34.689               -283.060              -1141.856
 CID3   Fr= 1--      11.526                -79.943                -36.874
 RC180  Fr= 1--       0.542                  0.030                  0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.02   0.02     0.44   0.44  -0.42     0.07   0.12  -0.05
     2   6     0.00   0.01  -0.01    -0.05  -0.08   0.07    -0.02   0.01   0.03
     3   6     0.00   0.00  -0.01     0.05   0.05  -0.08     0.03   0.13   0.12
     4   1    -0.03  -0.04   0.03    -0.32  -0.37   0.37     0.03   0.07   0.18
     5   6    -0.01  -0.02   0.02    -0.03  -0.00   0.01     0.01  -0.01  -0.02
     6   1     0.10   0.10  -0.11     0.06   0.11  -0.10     0.02  -0.09  -0.02
     7   6     0.01   0.02  -0.02    -0.01   0.00   0.01     0.09  -0.10  -0.00
     8   1    -0.10  -0.09   0.12     0.01   0.01   0.03     0.11  -0.10   0.01
     9   6    -0.00  -0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.03  -0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.01  -0.01   0.01     0.02   0.01  -0.00    -0.13   0.00  -0.14
    12   6     0.01   0.01  -0.01    -0.00   0.00   0.02    -0.14  -0.10  -0.15
    13   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.04  -0.01
    14   6    -0.03  -0.03   0.05     0.00  -0.01  -0.00     0.00   0.07   0.03
    15   6    -0.00  -0.01   0.01     0.00  -0.00  -0.00     0.01  -0.05   0.07
    16   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.00
    17   6     0.02   0.03  -0.05     0.00   0.00   0.00    -0.07  -0.04  -0.05
    18   6    -0.02  -0.03   0.06    -0.00  -0.01  -0.01     0.09   0.12   0.10
    19   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.23   0.01  -0.02
    20   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.03  -0.03   0.01
    21   6    -0.01  -0.02   0.05     0.00  -0.00   0.00    -0.15   0.07   0.01
    22   6     0.01   0.02  -0.05    -0.00  -0.00   0.00     0.06  -0.01  -0.00
    23   6    -0.00  -0.01   0.01     0.00  -0.00   0.01     0.15   0.08  -0.00
    24   6    -0.00  -0.01   0.04    -0.00   0.00   0.00    -0.03   0.05   0.01
    25   6     0.00   0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.00
    27   6     0.00   0.01  -0.01    -0.00  -0.00  -0.00    -0.05  -0.13  -0.04
    28   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07   0.04   0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.15   0.09   0.07
    30   6     0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.07  -0.02   0.00
    31   1    -0.19  -0.18   0.29     0.02   0.02  -0.02    -0.10  -0.08  -0.11
    32   1     0.18   0.16  -0.31     0.01  -0.01   0.00    -0.02   0.08   0.04
    33   1    -0.11  -0.11   0.32     0.00   0.02  -0.01    -0.02  -0.35  -0.06
    34   1     0.14   0.13  -0.32    -0.01  -0.01   0.01     0.25   0.08   0.11
    35   1     0.04   0.09  -0.29     0.00   0.00   0.00    -0.21   0.03  -0.06
    36   1    -0.07  -0.09   0.30    -0.00   0.00  -0.00     0.11  -0.29   0.01
    37   1     0.00   0.07  -0.23     0.00   0.00  -0.01    -0.02   0.07   0.02
    38   1     0.01  -0.07   0.21     0.00  -0.00   0.01     0.16  -0.04  -0.01
    39   1     0.02  -0.03   0.08     0.00  -0.00   0.01    -0.21  -0.10  -0.02
    40   1    -0.01   0.03  -0.06    -0.00   0.01  -0.01     0.08   0.01   0.02
    41  35    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    42   1     0.02  -0.02   0.05     0.01  -0.01   0.03    -0.18  -0.01   0.05
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1063.0745              1074.6903              1105.5123
 Red. masses --      2.4499                 2.9125                 2.3834
 Frc consts  --      1.6313                 1.9819                 1.7162
 IR Inten    --      3.3335                 0.5562                15.2292
 RamAct Fr= 1--     16.7414                43.3674                51.8312
  Dep-P Fr= 1--      0.1674                 0.0771                 0.1387
  Dep-U Fr= 1--      0.2868                 0.1432                 0.2436
 Alpha2 Fr= 1--      0.2476                 0.8027                 0.8244
 Beta2  Fr= 1--      0.8002                 1.0350                 2.1045
 AlphaG Fr= 1--     -0.9359                 2.5457                -0.2335
 Gamma2 Fr= 1--     -1.7710                -9.8624               -10.2687
 Delta2 Fr= 1--     -0.5531                 3.3359                -0.0416
 Raman1 Fr= 1--      66.966                173.470                207.325
 ROA1   Fr= 1--    -187.718               -840.045               -987.128
 CID1   Fr= 1--      -2.803                 -4.843                 -4.761
 Raman2 Fr= 1--       9.603                 12.420                 25.253
 ROA2   Fr= 1--     -38.080               -263.386               -246.116
 CID2   Fr= 1--      -3.966                -21.207                 -9.746
 Raman3 Fr= 1--      19.205                 24.839                 50.507
 ROA3   Fr= 1--    -187.718               -840.045               -987.128
 CID3   Fr= 1--      -9.774                -33.819                -19.544
 RC180  Fr= 1--      -0.426                 -0.714                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.22   0.03  -0.42    -0.07  -0.11  -0.19    -0.02   0.02  -0.02
     2   6    -0.12   0.05  -0.03     0.02  -0.06  -0.04    -0.02   0.02   0.00
     3   6    -0.05   0.15   0.08    -0.04   0.09   0.04     0.00  -0.01  -0.01
     4   1    -0.27   0.23   0.05    -0.28   0.20  -0.02     0.04  -0.03   0.00
     5   6     0.18  -0.07   0.07     0.04  -0.01   0.02     0.01  -0.01   0.00
     6   1     0.29  -0.34  -0.05     0.03   0.03   0.05     0.04  -0.07  -0.03
     7   6    -0.00  -0.06  -0.05     0.07  -0.10  -0.03    -0.02   0.03   0.00
     8   1    -0.24  -0.25  -0.36    -0.04  -0.19  -0.16    -0.02   0.03   0.01
     9   6    -0.03  -0.01  -0.03    -0.04   0.04  -0.01     0.01  -0.02  -0.00
    10   6    -0.00   0.00   0.01     0.02  -0.00   0.01    -0.01   0.01   0.00
    11   6     0.03  -0.04  -0.03    -0.03   0.02   0.02     0.02  -0.02   0.00
    12   6     0.03  -0.05   0.02    -0.01   0.15   0.04     0.01  -0.03   0.01
    13   6     0.01  -0.01  -0.00     0.01   0.08   0.04     0.00  -0.02  -0.01
    14   6     0.01   0.03   0.02     0.01  -0.10  -0.04    -0.00   0.02   0.01
    15   6     0.03   0.02   0.00    -0.01   0.00  -0.01    -0.01   0.02  -0.00
    16   6    -0.00   0.01  -0.00     0.04   0.01   0.01    -0.02   0.00  -0.01
    17   6    -0.01  -0.00  -0.00    -0.02   0.00   0.00     0.01  -0.00   0.00
    18   6     0.00   0.01   0.01    -0.03  -0.07  -0.05     0.00   0.01   0.01
    19   6    -0.06   0.06   0.01     0.05  -0.14  -0.02    -0.01   0.03   0.01
    20   6    -0.02   0.03   0.01     0.05  -0.07  -0.02    -0.02   0.02   0.01
    21   6     0.05  -0.03  -0.00    -0.07   0.05   0.01     0.01  -0.01  -0.00
    22   6    -0.02   0.00  -0.00    -0.01  -0.01  -0.01     0.02   0.00   0.00
    23   6    -0.03  -0.00   0.02    -0.00  -0.05  -0.04     0.03  -0.05  -0.02
    24   6     0.03  -0.04  -0.01    -0.06   0.09   0.03     0.01  -0.02  -0.01
    25   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.01   0.00   0.00
    26   6    -0.00   0.01   0.00     0.00  -0.04  -0.01     0.03   0.02   0.00
    27   6    -0.00   0.00   0.00     0.03   0.05   0.02     0.02  -0.08  -0.04
    28   6     0.01   0.01   0.01    -0.05  -0.06  -0.02    -0.14  -0.10  -0.03
    29   6     0.03  -0.02  -0.02    -0.03   0.03   0.02    -0.12   0.19   0.11
    30   6     0.00  -0.03  -0.02     0.02   0.09   0.05     0.09   0.06   0.02
    31   1    -0.01   0.00  -0.02     0.21   0.15   0.25    -0.06  -0.03  -0.06
    32   1     0.02   0.03   0.03    -0.08  -0.05  -0.09     0.06  -0.01   0.03
    33   1     0.00  -0.04  -0.01    -0.08   0.28   0.06     0.03  -0.08  -0.02
    34   1     0.00   0.01   0.00     0.06  -0.12  -0.01    -0.07   0.04  -0.02
    35   1     0.07  -0.01   0.01     0.02   0.13   0.03    -0.05  -0.07  -0.03
    36   1    -0.06   0.13   0.02     0.06  -0.26  -0.06    -0.01   0.08   0.03
    37   1     0.04  -0.03  -0.01    -0.13   0.02   0.01     0.04   0.01   0.00
    38   1    -0.13   0.02   0.02     0.30  -0.04  -0.05    -0.16   0.03   0.02
    39   1    -0.02   0.00   0.01     0.13   0.04  -0.00     0.47  -0.15  -0.12
    40   1    -0.01   0.08   0.03     0.01  -0.26  -0.12    -0.09  -0.29  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1     0.03  -0.05  -0.00     0.07   0.12  -0.02     0.61   0.06  -0.22
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1124.4652              1147.3298              1170.5284
 Red. masses --      3.1012                 1.7852                 1.3741
 Frc consts  --      2.3104                 1.3845                 1.1093
 IR Inten    --      4.0035                 9.9911                 4.3620
 RamAct Fr= 1--     23.1065                 1.0679                 6.5832
  Dep-P Fr= 1--      0.1269                 0.4207                 0.7458
  Dep-U Fr= 1--      0.2251                 0.5922                 0.8544
 Alpha2 Fr= 1--      0.3786                 0.0073                 0.0005
 Beta2  Fr= 1--      0.8671                 0.1054                 0.9374
 AlphaG Fr= 1--     -0.1616                -0.0506                -0.0055
 Gamma2 Fr= 1--      7.0226                 0.9684                -5.8651
 Delta2 Fr= 1--      3.9494                 0.2212                 0.0535
 Raman1 Fr= 1--      92.426                  4.272                 26.333
 ROA1   Fr= 1--     800.550                100.047               -561.335
 CID1   Fr= 1--       8.662                 23.421                -21.317
 Raman2 Fr= 1--      10.405                  1.265                 11.249
 ROA2   Fr= 1--     136.947                 21.472               -141.189
 CID2   Fr= 1--      13.162                 16.975                -12.551
 Raman3 Fr= 1--      20.809                  2.530                 22.498
 ROA3   Fr= 1--     800.550                100.047               -561.335
 CID3   Fr= 1--      38.471                 39.546                -24.951
 RC180  Fr= 1--      -0.550                  0.184                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.18   0.09   0.23     0.12  -0.03   0.13    -0.12  -0.04  -0.16
     2   6     0.03  -0.02   0.02     0.07  -0.06   0.01    -0.04   0.01  -0.02
     3   6     0.02   0.02   0.03    -0.02   0.02   0.00     0.03  -0.01   0.01
     4   1     0.05   0.00   0.05    -0.22   0.12  -0.07     0.22  -0.12   0.09
     5   6    -0.04   0.01  -0.02    -0.02   0.03   0.01     0.00   0.00   0.00
     6   1    -0.08   0.11   0.03    -0.14   0.33   0.17     0.03  -0.06  -0.03
     7   6     0.06  -0.04   0.02     0.05  -0.08  -0.02    -0.02   0.02   0.00
     8   1     0.14   0.02   0.12    -0.04  -0.15  -0.15    -0.02   0.03   0.00
     9   6    -0.03   0.01  -0.01    -0.05   0.05  -0.01     0.03  -0.00   0.03
    10   6     0.01  -0.01   0.00     0.03  -0.04  -0.00    -0.02   0.00  -0.01
    11   6    -0.12   0.02  -0.11    -0.04   0.05   0.01     0.02  -0.02   0.01
    12   6    -0.04  -0.08  -0.03     0.03  -0.01   0.00    -0.04   0.03  -0.02
    13   6    -0.00  -0.02  -0.01     0.01   0.02   0.01    -0.03   0.03  -0.01
    14   6    -0.00   0.02   0.01    -0.01   0.01   0.00     0.02  -0.03  -0.00
    15   6     0.18   0.04   0.06     0.02  -0.08  -0.00    -0.01  -0.04  -0.01
    16   6     0.11   0.02   0.04     0.00  -0.02  -0.01     0.03  -0.03   0.00
    17   6    -0.11  -0.05  -0.05     0.01   0.02   0.01    -0.02   0.03   0.01
    18   6     0.04   0.03   0.03    -0.01  -0.02  -0.01     0.04  -0.02   0.01
    19   6    -0.07   0.06  -0.01    -0.01  -0.00  -0.01     0.01   0.00  -0.00
    20   6    -0.01   0.01   0.00    -0.03   0.03   0.00     0.03   0.01  -0.00
    21   6     0.06  -0.01   0.01     0.03  -0.02  -0.00    -0.02  -0.01  -0.01
    22   6    -0.12   0.00  -0.03    -0.02   0.02   0.00    -0.02   0.02   0.00
    23   6    -0.14  -0.08   0.01     0.01   0.04   0.02    -0.04   0.01   0.02
    24   6     0.01  -0.02  -0.01     0.02  -0.00   0.00    -0.03   0.00  -0.00
    25   6     0.01   0.02   0.01    -0.01  -0.04  -0.02     0.03  -0.02  -0.01
    26   6    -0.03  -0.03  -0.01     0.02   0.07   0.02    -0.01   0.03   0.01
    27   6     0.04   0.07   0.02    -0.01  -0.07  -0.03     0.04  -0.03  -0.02
    28   6    -0.04  -0.03  -0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    29   6     0.05  -0.03  -0.02    -0.02   0.03   0.02    -0.00  -0.00  -0.00
    30   6     0.04   0.03   0.00    -0.01  -0.06  -0.03    -0.01  -0.03  -0.01
    31   1     0.00  -0.02  -0.01     0.14   0.05   0.11    -0.07  -0.04  -0.08
    32   1    -0.06   0.05  -0.02    -0.27   0.14  -0.09     0.18  -0.12   0.06
    33   1    -0.11  -0.03  -0.05    -0.02   0.15   0.05    -0.09   0.35   0.08
    34   1     0.44  -0.13   0.15    -0.03  -0.01  -0.02     0.36  -0.15   0.11
    35   1     0.37   0.28   0.13    -0.01  -0.05  -0.02    -0.04  -0.03   0.00
    36   1    -0.12  -0.02  -0.03    -0.08   0.21   0.04    -0.02   0.06  -0.01
    37   1    -0.06  -0.09  -0.02     0.24   0.23   0.08    -0.12  -0.09  -0.02
    38   1     0.00   0.02   0.01    -0.26   0.00   0.01     0.22  -0.06  -0.04
    39   1     0.15   0.06   0.00     0.20  -0.11  -0.07     0.40  -0.09  -0.10
    40   1     0.00  -0.13  -0.06    -0.11   0.33   0.17    -0.15   0.40   0.20
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    42   1     0.31  -0.00  -0.06     0.05  -0.07  -0.03     0.02  -0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1172.0035              1181.8128              1183.1430
 Red. masses --      1.3159                 1.1975                 1.1735
 Frc consts  --      1.0649                 0.9854                 0.9678
 IR Inten    --      3.0158                 2.7022                 0.7606
 RamAct Fr= 1--      2.6808                16.8721                12.8451
  Dep-P Fr= 1--      0.5879                 0.1618                 0.2824
  Dep-U Fr= 1--      0.7405                 0.2786                 0.4404
 Alpha2 Fr= 1--      0.0081                 0.2531                 0.1388
 Beta2  Fr= 1--      0.3309                 0.7834                 0.9428
 AlphaG Fr= 1--      0.0102                -0.5343                -0.3506
 Gamma2 Fr= 1--     -1.2595                 3.0779                -2.1313
 Delta2 Fr= 1--      0.8213                 1.7560                 1.9774
 Raman1 Fr= 1--      10.723                 67.489                 51.380
 ROA1   Fr= 1--     -94.626                351.670               -141.330
 CID1   Fr= 1--      -8.824                  5.211                 -2.751
 Raman2 Fr= 1--       3.970                  9.401                 11.314
 ROA2   Fr= 1--     -36.798                 59.821                -66.972
 CID2   Fr= 1--      -9.268                  6.364                 -5.919
 Raman3 Fr= 1--       7.941                 18.801                 22.628
 ROA3   Fr= 1--     -94.626                351.670               -141.330
 CID3   Fr= 1--     -11.917                 18.705                 -6.246
 RC180  Fr= 1--       0.481                 -0.443                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04  -0.02   0.04    -0.09  -0.04  -0.14     0.03   0.03   0.03
     2   6     0.03  -0.02   0.00    -0.02   0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.02  -0.00   0.02    -0.01   0.01   0.00
     4   1    -0.06   0.02  -0.02     0.22  -0.11   0.10    -0.05   0.03  -0.02
     5   6    -0.01   0.04   0.03    -0.01   0.00   0.00    -0.00  -0.03  -0.02
     6   1    -0.14   0.39   0.21    -0.01   0.03   0.01     0.07  -0.22  -0.13
     7   6    -0.01  -0.04  -0.04    -0.00   0.01   0.00     0.02   0.01   0.03
     8   1    -0.21  -0.20  -0.33    -0.02   0.00  -0.01     0.15   0.11   0.21
     9   6    -0.01   0.02   0.01     0.01   0.01   0.02    -0.01   0.01  -0.00
    10   6    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00     0.03  -0.00   0.01
    11   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.02  -0.01  -0.02
    12   6    -0.00   0.00  -0.01    -0.02  -0.01  -0.02     0.01  -0.02   0.00
    13   6    -0.02  -0.02  -0.02    -0.01   0.03   0.01     0.00   0.01   0.00
    14   6     0.03   0.02   0.02     0.00  -0.02  -0.01    -0.03   0.00  -0.02
    15   6     0.02  -0.01   0.01    -0.00  -0.03  -0.00     0.02  -0.01   0.01
    16   6    -0.01  -0.03  -0.01     0.01   0.00   0.00    -0.01   0.00  -0.00
    17   6     0.00   0.01   0.01    -0.02   0.03   0.01     0.00   0.01   0.00
    18   6     0.02   0.01   0.01     0.02  -0.03  -0.00    -0.00  -0.01  -0.00
    19   6     0.02   0.04   0.01     0.00  -0.01  -0.00     0.02   0.01   0.00
    20   6     0.02   0.02   0.01    -0.01   0.02   0.00    -0.01   0.01   0.00
    21   6    -0.02  -0.02  -0.01     0.01  -0.02  -0.01    -0.01  -0.04  -0.02
    22   6     0.00   0.03   0.01    -0.01   0.01   0.00     0.01   0.04   0.02
    23   6    -0.01  -0.01   0.00     0.03  -0.01  -0.01    -0.00   0.01   0.00
    24   6    -0.01  -0.03  -0.01     0.04   0.00   0.00    -0.02  -0.02  -0.01
    25   6     0.02   0.02   0.01    -0.03  -0.01  -0.00     0.03   0.02   0.01
    26   6    -0.03  -0.03  -0.00    -0.00   0.01   0.00    -0.01  -0.02  -0.00
    27   6     0.01   0.03   0.01    -0.04   0.01   0.01     0.01   0.01   0.00
    28   6     0.00  -0.01  -0.00     0.03  -0.03  -0.02    -0.00   0.00   0.00
    29   6    -0.01  -0.01  -0.00    -0.00   0.01   0.01    -0.01  -0.01  -0.00
    30   6     0.02   0.03   0.00     0.01   0.01   0.00     0.01   0.01   0.00
    31   1    -0.18  -0.16  -0.22     0.02   0.02   0.02     0.21   0.15   0.23
    32   1     0.21  -0.08   0.10    -0.02  -0.02  -0.00    -0.31   0.14  -0.12
    33   1     0.02  -0.01  -0.02    -0.10   0.37   0.10    -0.00   0.04   0.01
    34   1    -0.00   0.01   0.02     0.36  -0.16   0.09     0.01  -0.02  -0.00
    35   1    -0.22  -0.21  -0.09    -0.09  -0.11  -0.05    -0.30  -0.31  -0.14
    36   1    -0.07   0.27   0.06    -0.06   0.18   0.04    -0.11   0.44   0.12
    37   1    -0.20  -0.24  -0.07     0.24   0.22   0.07    -0.19  -0.21  -0.06
    38   1     0.21  -0.02  -0.02    -0.34   0.06   0.03     0.25  -0.03  -0.02
    39   1    -0.09   0.04   0.03    -0.33   0.05   0.08    -0.01   0.01   0.00
    40   1     0.07  -0.19  -0.09     0.13  -0.32  -0.16     0.02  -0.05  -0.02
    41  35     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.03   0.02   0.01    -0.00   0.02  -0.00     0.01   0.01   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1188.2491              1210.7502              1219.5259
 Red. masses --      1.2217                 3.3310                 1.8274
 Frc consts  --      1.0163                 2.8770                 1.6012
 IR Inten    --      0.9620                 0.2533                 1.8968
 RamAct Fr= 1--      8.1047                23.1559               174.9596
  Dep-P Fr= 1--      0.3543                 0.1340                 0.0805
  Dep-U Fr= 1--      0.5232                 0.2363                 0.1491
 Alpha2 Fr= 1--      0.0702                 0.3727                 3.2117
 Beta2  Fr= 1--      0.7067                 0.9119                 4.3474
 AlphaG Fr= 1--     -0.0806                -0.2275                -0.2381
 Gamma2 Fr= 1--      0.8269                 4.9591                50.1127
 Delta2 Fr= 1--      2.8355                -4.1465               -11.0378
 Raman1 Fr= 1--      32.419                 92.624                699.839
 ROA1   Fr= 1--     170.115                343.390               4457.611
 CID1   Fr= 1--       5.247                  3.707                  6.369
 Raman2 Fr= 1--       8.481                 10.943                 52.168
 ROA2   Fr= 1--      -2.839                152.191               1291.007
 CID2   Fr= 1--      -0.335                 13.907                 24.747
 Raman3 Fr= 1--      16.961                 21.886                104.337
 ROA3   Fr= 1--     170.115                343.390               4457.611
 CID3   Fr= 1--      10.030                 15.690                 42.723
 RC180  Fr= 1--       0.046                 -0.527                 -0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.18  -0.11  -0.31    -0.02   0.01  -0.02    -0.04  -0.00  -0.04
     2   6    -0.03   0.00  -0.02     0.00   0.02   0.02    -0.02   0.01  -0.01
     3   6     0.04  -0.01   0.02     0.01   0.00   0.01     0.01   0.00   0.01
     4   1     0.45  -0.23   0.19     0.28  -0.13   0.10     0.10  -0.04   0.05
     5   6    -0.01   0.02   0.01     0.01   0.02   0.02     0.01   0.00   0.01
     6   1    -0.10   0.26   0.13    -0.13   0.38   0.21     0.01  -0.00   0.01
     7   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     8   1    -0.13  -0.09  -0.18    -0.11  -0.09  -0.15     0.05   0.03   0.06
     9   6     0.00   0.04   0.03    -0.03  -0.03  -0.05    -0.00  -0.02  -0.02
    10   6     0.04  -0.02   0.01    -0.03   0.04   0.01    -0.00  -0.00  -0.00
    11   6     0.03  -0.03   0.01    -0.00  -0.04  -0.05    -0.02  -0.00  -0.02
    12   6    -0.02  -0.02  -0.02     0.04  -0.10   0.01    -0.02   0.09   0.02
    13   6    -0.04   0.03  -0.01     0.12  -0.04   0.05    -0.08   0.04  -0.02
    14   6    -0.02  -0.01  -0.02    -0.00   0.04   0.01     0.01  -0.03  -0.01
    15   6     0.02  -0.00   0.01    -0.04   0.12  -0.01     0.13   0.04   0.05
    16   6     0.00  -0.02  -0.00    -0.04   0.19   0.04    -0.02   0.03   0.00
    17   6     0.03  -0.02   0.00    -0.06  -0.02  -0.03     0.01  -0.02   0.00
    18   6    -0.01   0.03   0.01    -0.01  -0.06  -0.03    -0.01   0.01   0.01
    19   6    -0.00   0.02   0.00    -0.08  -0.06   0.00     0.03  -0.11  -0.02
    20   6     0.01   0.01   0.00    -0.13  -0.12  -0.03    -0.08  -0.08  -0.03
    21   6    -0.00   0.01   0.00     0.07  -0.05  -0.01     0.02  -0.02  -0.01
    22   6    -0.01  -0.01  -0.00     0.08   0.00   0.02     0.02   0.02   0.01
    23   6    -0.01  -0.00   0.00     0.09   0.01  -0.02    -0.02  -0.03  -0.01
    24   6    -0.00  -0.01  -0.00    -0.04   0.04   0.01    -0.01   0.04   0.01
    25   6     0.00   0.00   0.00     0.02   0.07   0.03    -0.00   0.01   0.00
    26   6    -0.01  -0.01  -0.00     0.14  -0.04  -0.03    -0.01   0.01   0.00
    27   6     0.01   0.00   0.00    -0.01  -0.03  -0.01     0.01   0.01   0.00
    28   6    -0.00   0.00   0.00    -0.04  -0.01   0.00     0.01   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.02   0.04   0.02     0.01  -0.01  -0.01
    30   6     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.02  -0.00   0.00
    31   1     0.23   0.14   0.22    -0.06   0.02  -0.02    -0.01  -0.01  -0.01
    32   1    -0.32   0.12  -0.11    -0.09   0.09  -0.02     0.35  -0.20   0.10
    33   1     0.10  -0.27  -0.07    -0.12   0.12   0.05     0.13  -0.43  -0.15
    34   1    -0.16   0.09  -0.03     0.28  -0.17   0.01    -0.10   0.05  -0.01
    35   1     0.07   0.08   0.04     0.02  -0.10  -0.06    -0.11  -0.15  -0.08
    36   1     0.02  -0.08  -0.02     0.06   0.05   0.07    -0.11   0.42   0.15
    37   1    -0.05  -0.06  -0.02    -0.18  -0.09  -0.06     0.27   0.34   0.12
    38   1     0.04  -0.01  -0.01     0.25   0.03   0.02    -0.04   0.02   0.01
    39   1     0.03   0.00  -0.00    -0.01  -0.04  -0.01     0.13  -0.01  -0.02
    40   1    -0.00  -0.00  -0.00    -0.12   0.23   0.12    -0.03   0.11   0.05
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.00  -0.01    -0.22   0.02   0.05    -0.03  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1231.0131              1239.9966              1247.4342
 Red. masses --      2.4541                 2.3111                 1.9393
 Frc consts  --      2.1911                 2.0937                 1.7780
 IR Inten    --      1.8501                 0.1697                 1.3616
 RamAct Fr= 1--     87.3205                69.1210                 5.0587
  Dep-P Fr= 1--      0.2724                 0.1861                 0.7452
  Dep-U Fr= 1--      0.4281                 0.3138                 0.8540
 Alpha2 Fr= 1--      0.9713                 0.9738                 0.0004
 Beta2  Fr= 1--      6.2305                 3.6146                 0.7200
 AlphaG Fr= 1--     -1.2435                -1.8409                 0.0070
 Gamma2 Fr= 1--     -9.7025                 0.1783               -26.5034
 Delta2 Fr= 1--    -15.7927                -4.5813                -3.6775
 Raman1 Fr= 1--     349.282                276.484                 20.235
 ROA1   Fr= 1--   -1436.806               -129.481              -2662.002
 CID1   Fr= 1--      -4.114                 -0.468               -131.555
 Raman2 Fr= 1--      74.766                 43.375                  8.640
 ROA2   Fr= 1--    -106.517                 40.931               -606.661
 CID2   Fr= 1--      -1.425                  0.944                -70.215
 Raman3 Fr= 1--     149.532                 86.749                 17.280
 ROA3   Fr= 1--   -1436.806               -129.481              -2662.002
 CID3   Fr= 1--      -9.609                 -1.493               -154.051
 RC180  Fr= 1--      -0.144                 -0.372                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.06     0.10   0.02   0.14    -0.08  -0.10  -0.16
     2   6     0.00   0.02   0.02     0.02  -0.02  -0.01     0.00  -0.04  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.01  -0.00   0.01
     4   1     0.02  -0.02   0.00    -0.38   0.17  -0.15     0.02  -0.01   0.02
     5   6     0.01   0.00   0.01    -0.04   0.00  -0.03    -0.03   0.00  -0.02
     6   1    -0.04   0.14   0.08     0.07  -0.28  -0.18     0.04  -0.16  -0.11
     7   6    -0.01   0.01  -0.00    -0.03   0.01  -0.02    -0.00   0.01   0.01
     8   1    -0.07  -0.04  -0.08    -0.20  -0.10  -0.24    -0.05  -0.02  -0.07
     9   6    -0.01  -0.03  -0.03     0.10   0.09   0.14     0.04   0.07   0.08
    10   6    -0.01   0.02   0.01     0.05  -0.06  -0.01    -0.00  -0.01  -0.01
    11   6     0.03  -0.04  -0.01     0.07   0.03   0.09    -0.02   0.05   0.03
    12   6     0.02  -0.05  -0.00    -0.05  -0.06  -0.07    -0.01  -0.01  -0.01
    13   6     0.05  -0.02   0.02    -0.12   0.04  -0.05     0.08  -0.03   0.03
    14   6    -0.01   0.02   0.00    -0.01  -0.04  -0.03     0.01  -0.00  -0.00
    15   6    -0.04   0.07  -0.01     0.01   0.03   0.01    -0.01   0.02   0.01
    16   6    -0.04   0.15   0.04    -0.02   0.08   0.02    -0.01   0.04   0.01
    17   6    -0.04  -0.02  -0.02     0.00  -0.00   0.01    -0.03  -0.01  -0.01
    18   6    -0.01  -0.04  -0.02     0.02   0.01   0.02    -0.01  -0.03  -0.02
    19   6     0.12  -0.05  -0.01    -0.02  -0.01  -0.00     0.01  -0.01  -0.00
    20   6     0.09   0.09   0.03    -0.02  -0.02  -0.00    -0.08  -0.07  -0.03
    21   6    -0.02  -0.01   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    22   6     0.01  -0.01   0.01     0.03   0.00   0.01     0.03   0.00   0.01
    23   6    -0.10  -0.06  -0.01     0.01  -0.03  -0.02    -0.02   0.07   0.04
    24   6     0.05  -0.03  -0.01    -0.01   0.01   0.01     0.00  -0.01  -0.01
    25   6    -0.02  -0.05  -0.02    -0.00   0.03   0.01     0.01  -0.02  -0.01
    26   6    -0.14   0.02   0.03     0.07  -0.03  -0.02    -0.13   0.05   0.04
    27   6     0.04   0.04   0.01     0.00  -0.00  -0.00    -0.01   0.01   0.01
    28   6     0.03   0.03   0.01    -0.02  -0.01  -0.00     0.04   0.02   0.00
    29   6    -0.00  -0.04  -0.02     0.02   0.01   0.00    -0.01  -0.01  -0.00
    30   6    -0.00   0.02   0.01    -0.02   0.02   0.01     0.04  -0.04  -0.03
    31   1     0.04   0.07   0.07     0.03  -0.09  -0.05    -0.24  -0.21  -0.27
    32   1    -0.09   0.06  -0.02    -0.22   0.03  -0.07    -0.25   0.12  -0.08
    33   1    -0.02  -0.17  -0.05     0.08  -0.26  -0.09    -0.05   0.04   0.01
    34   1     0.16  -0.10   0.01     0.42  -0.14   0.11    -0.13   0.02  -0.05
    35   1    -0.41  -0.37  -0.20    -0.02  -0.06  -0.03     0.15   0.08   0.05
    36   1     0.12  -0.34  -0.09     0.07  -0.13  -0.02     0.02   0.05   0.03
    37   1     0.20   0.11   0.08    -0.05  -0.02  -0.02     0.23   0.23   0.09
    38   1    -0.22  -0.01  -0.00    -0.13   0.06   0.03     0.49  -0.12  -0.06
    39   1     0.37   0.00  -0.06    -0.02  -0.00   0.01     0.11   0.00  -0.02
    40   1     0.03   0.05   0.02    -0.06   0.10   0.05     0.12  -0.21  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.02   0.01   0.01    -0.09   0.03   0.02     0.19  -0.06  -0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1251.9930              1284.1098              1301.5206
 Red. masses --      1.8045                 1.6988                 1.5871
 Frc consts  --      1.6665                 1.6504                 1.5840
 IR Inten    --      1.2190                 6.4464                 1.2314
 RamAct Fr= 1--     77.3815                 8.7079                 2.4374
  Dep-P Fr= 1--      0.1089                 0.6859                 0.3592
  Dep-U Fr= 1--      0.1964                 0.8137                 0.5286
 Alpha2 Fr= 1--      1.3255                 0.0098                 0.0208
 Beta2  Fr= 1--      2.5333                 1.1809                 0.2147
 AlphaG Fr= 1--      2.0555                -0.0080                 0.1300
 Gamma2 Fr= 1--    -24.9547                -9.9012                 1.0980
 Delta2 Fr= 1--    -10.6952               -11.4795                 1.7722
 Raman1 Fr= 1--     309.526                 34.832                  9.750
 ROA1   Fr= 1--   -2737.900              -1317.858                162.115
 CID1   Fr= 1--      -8.845                -37.835                 16.628
 Raman2 Fr= 1--      30.400                 14.171                  2.577
 ROA2   Fr= 1--    -513.351               -145.792                 12.173
 CID2   Fr= 1--     -16.887                -10.288                  4.724
 Raman3 Fr= 1--      60.800                 28.341                  5.154
 ROA3   Fr= 1--   -2737.900              -1317.858                162.115
 CID3   Fr= 1--     -45.031                -46.500                 31.456
 RC180  Fr= 1--      -0.607                  0.627                  0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.13   0.14   0.27    -0.16  -0.15  -0.28     0.16   0.15   0.29
     2   6     0.01   0.05   0.05     0.00  -0.03  -0.02    -0.01   0.02   0.01
     3   6    -0.03  -0.00  -0.02     0.02  -0.01   0.01    -0.02   0.01  -0.00
     4   1    -0.15   0.06  -0.07     0.01  -0.00   0.00     0.07  -0.03   0.03
     5   6     0.02   0.00   0.02     0.01  -0.00   0.00    -0.01   0.01  -0.00
     6   1    -0.04   0.15   0.10     0.01   0.01   0.01     0.01  -0.05  -0.03
     7   6    -0.02   0.00  -0.01     0.02  -0.02  -0.00    -0.01   0.02   0.01
     8   1    -0.05  -0.03  -0.05     0.21   0.11   0.25    -0.21  -0.12  -0.25
     9   6    -0.02  -0.07  -0.06    -0.05   0.02  -0.03     0.06  -0.02   0.03
    10   6     0.01   0.01   0.01     0.00  -0.03  -0.01    -0.01   0.03   0.01
    11   6     0.07  -0.07  -0.00    -0.03   0.08   0.04     0.01  -0.08  -0.05
    12   6    -0.01  -0.03  -0.02     0.03   0.01   0.02    -0.02   0.03   0.00
    13   6    -0.10   0.04  -0.03    -0.03   0.02  -0.01     0.04   0.00   0.02
    14   6    -0.01   0.00  -0.00     0.01   0.00   0.01    -0.01  -0.02  -0.01
    15   6    -0.05  -0.01  -0.02     0.01  -0.07  -0.01    -0.01   0.02   0.00
    16   6    -0.02   0.01  -0.00    -0.03   0.11   0.03     0.01  -0.02  -0.00
    17   6     0.03   0.01   0.02    -0.01   0.01   0.01    -0.01  -0.01  -0.01
    18   6     0.01   0.02   0.02    -0.02  -0.03  -0.02     0.00  -0.00  -0.00
    19   6    -0.02   0.01   0.01    -0.03  -0.00  -0.01     0.05  -0.03  -0.01
    20   6    -0.04  -0.04  -0.02     0.02   0.03   0.01     0.03  -0.03  -0.01
    21   6     0.02  -0.01  -0.00     0.03  -0.02  -0.00    -0.02   0.01  -0.00
    22   6     0.03  -0.00   0.01    -0.00   0.02   0.01     0.00   0.01   0.00
    23   6     0.01   0.08   0.03    -0.03   0.09   0.04    -0.09   0.04   0.03
    24   6    -0.00  -0.01  -0.00    -0.02   0.00   0.00    -0.04   0.03   0.01
    25   6     0.01  -0.02  -0.01     0.02  -0.03  -0.01     0.02  -0.01  -0.00
    26   6    -0.08   0.05   0.03     0.06   0.04   0.01     0.07   0.03   0.00
    27   6    -0.02  -0.01   0.00    -0.01  -0.03  -0.01     0.02  -0.01  -0.01
    28   6     0.02   0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    29   6    -0.02   0.00   0.00    -0.01  -0.02  -0.01    -0.02  -0.06  -0.02
    30   6     0.04  -0.04  -0.03     0.02  -0.03  -0.02    -0.00   0.00   0.00
    31   1     0.29   0.25   0.33    -0.00  -0.03  -0.02    -0.03   0.01  -0.01
    32   1     0.17  -0.09   0.05     0.18  -0.08   0.06    -0.11   0.03  -0.05
    33   1     0.04  -0.03   0.00     0.07  -0.30  -0.10    -0.03   0.09   0.03
    34   1     0.32  -0.09   0.09     0.15  -0.10   0.02    -0.15   0.05  -0.04
    35   1     0.17   0.12   0.07    -0.10  -0.15  -0.07    -0.06  -0.03  -0.02
    36   1     0.05  -0.07  -0.01     0.10  -0.29  -0.08    -0.01   0.06   0.02
    37   1     0.10   0.10   0.03    -0.15  -0.14  -0.05    -0.02   0.05   0.02
    38   1     0.41  -0.10  -0.05     0.03  -0.03  -0.01    -0.08   0.02   0.01
    39   1    -0.02  -0.00  -0.00    -0.38   0.02   0.06    -0.43   0.05   0.08
    40   1     0.10  -0.20  -0.10    -0.02   0.02   0.01    -0.08   0.20   0.10
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.14  -0.05  -0.06     0.39  -0.07  -0.13     0.58  -0.05  -0.17
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1321.7910              1362.5774              1364.5080
 Red. masses --      2.4493                 5.3989                 5.0455
 Frc consts  --      2.5213                 5.9058                 5.5349
 IR Inten    --      8.0259                 1.6483                 2.8912
 RamAct Fr= 1--      5.5413               134.7989                97.8780
  Dep-P Fr= 1--      0.1907                 0.6235                 0.6074
  Dep-U Fr= 1--      0.3203                 0.7681                 0.7558
 Alpha2 Fr= 1--      0.0771                 0.3111                 0.2572
 Beta2  Fr= 1--      0.2958                17.2570                12.3292
 AlphaG Fr= 1--      0.0420                -3.5740                -3.0123
 Gamma2 Fr= 1--      5.2482              -331.1434              -200.9460
 Delta2 Fr= 1--     -2.0546               -58.8339               -32.8901
 Raman1 Fr= 1--      22.165                539.196                391.512
 ROA1   Fr= 1--     438.081             -33672.451             -20343.302
 CID1   Fr= 1--      19.765                -62.449                -51.961
 Raman2 Fr= 1--       3.549                207.084                147.950
 ROA2   Fr= 1--     142.394              -7476.770              -4559.584
 CID2   Fr= 1--      40.120                -36.105                -30.818
 Raman3 Fr= 1--       7.098                414.167                295.901
 ROA3   Fr= 1--     438.081             -33672.451             -20343.302
 CID3   Fr= 1--      61.715                -81.302                -68.750
 RC180  Fr= 1--      -0.359                  0.536                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.21  -0.16  -0.35    -0.12  -0.08  -0.20    -0.03  -0.09  -0.18
     2   6     0.02   0.01   0.02     0.03   0.03   0.05     0.11   0.01   0.11
     3   6     0.02  -0.04  -0.02    -0.02  -0.01  -0.03    -0.13   0.07  -0.05
     4   1    -0.26   0.09  -0.12    -0.15   0.05  -0.08     0.19  -0.08   0.05
     5   6     0.03  -0.00   0.02     0.02  -0.04  -0.02     0.01  -0.14  -0.11
     6   1    -0.03   0.15   0.10    -0.04   0.12   0.06    -0.07   0.05  -0.01
     7   6    -0.03  -0.02  -0.04    -0.00   0.01   0.01     0.12   0.07   0.15
     8   1     0.21   0.15   0.28     0.07   0.07   0.11    -0.00  -0.02   0.05
     9   6    -0.05  -0.03  -0.06    -0.05   0.03  -0.01    -0.20   0.25   0.01
    10   6    -0.03  -0.00  -0.01    -0.01  -0.01  -0.01     0.08  -0.10  -0.01
    11   6     0.09   0.06   0.13     0.08  -0.02   0.05     0.00  -0.12  -0.09
    12   6    -0.07  -0.04  -0.07    -0.06  -0.04  -0.05     0.14  -0.07   0.07
    13   6     0.01  -0.08  -0.03     0.00  -0.04  -0.02    -0.10   0.04  -0.03
    14   6     0.02   0.06   0.04     0.02   0.01   0.02    -0.02  -0.00  -0.01
    15   6    -0.03   0.04   0.01     0.01   0.13   0.02    -0.07   0.08  -0.02
    16   6    -0.01  -0.04  -0.01     0.10  -0.05   0.01    -0.10  -0.06  -0.05
    17   6    -0.02   0.01  -0.00    -0.02  -0.04  -0.02     0.08   0.00   0.03
    18   6     0.04   0.02   0.02     0.01   0.05   0.03    -0.03   0.04   0.01
    19   6     0.11   0.05   0.01    -0.06  -0.08  -0.01     0.09  -0.00   0.01
    20   6    -0.03  -0.08  -0.03     0.12   0.00   0.01    -0.04   0.00  -0.00
    21   6    -0.04  -0.01  -0.01    -0.03   0.04   0.01    -0.01   0.04   0.01
    22   6     0.05   0.00   0.01    -0.05  -0.01  -0.02     0.05  -0.05  -0.01
    23   6    -0.07  -0.05  -0.00    -0.00  -0.13  -0.05    -0.01  -0.03  -0.02
    24   6    -0.03   0.01   0.00    -0.00   0.02   0.01    -0.01  -0.02  -0.01
    25   6     0.01   0.05   0.02    -0.02  -0.11  -0.04    -0.00   0.03   0.01
    26   6     0.02  -0.06  -0.02     0.08   0.30   0.09    -0.02  -0.02  -0.01
    27   6     0.05   0.03   0.00    -0.19   0.02   0.03     0.03   0.02   0.01
    28   6    -0.01   0.00   0.00     0.10  -0.16  -0.09     0.01  -0.01  -0.00
    29   6    -0.02  -0.06  -0.02     0.17   0.12   0.03    -0.04  -0.05  -0.02
    30   6    -0.01   0.05   0.02    -0.19  -0.05   0.02    -0.02   0.04   0.02
    31   1     0.09   0.11   0.11    -0.05  -0.03  -0.06    -0.18  -0.33  -0.32
    32   1    -0.13   0.13  -0.00    -0.10   0.07  -0.02     0.22  -0.12   0.05
    33   1    -0.05   0.15   0.04    -0.04   0.03   0.01     0.05   0.17   0.08
    34   1     0.03   0.02   0.03    -0.04   0.07   0.02     0.22  -0.04   0.06
    35   1     0.14   0.15   0.08    -0.21  -0.11  -0.07     0.07   0.11   0.05
    36   1    -0.00   0.16   0.06    -0.11   0.15   0.02     0.02   0.01   0.02
    37   1     0.15   0.22   0.08    -0.05  -0.04  -0.03     0.06   0.05   0.03
    38   1    -0.12   0.09   0.03     0.45  -0.21  -0.10     0.04   0.02   0.01
    39   1    -0.09   0.05   0.03    -0.10  -0.00   0.06    -0.05   0.04   0.02
    40   1    -0.08   0.19   0.10     0.03   0.07   0.02    -0.05   0.18   0.09
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   1     0.26   0.02  -0.06     0.20  -0.08  -0.13     0.24   0.02  -0.05
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1378.2901              1387.3926              1392.4249
 Red. masses --      5.2884                 4.6071                 4.5560
 Frc consts  --      5.9192                 5.2249                 5.2045
 IR Inten    --      1.2306                 6.5312                 5.7124
 RamAct Fr= 1--   2260.7076               449.3382               289.2591
  Dep-P Fr= 1--      0.1327                 0.1137                 0.4297
  Dep-U Fr= 1--      0.2343                 0.2041                 0.6011
 Alpha2 Fr= 1--     36.5045                 7.6072                 1.9201
 Beta2  Fr= 1--     88.2866                15.2877                28.9793
 AlphaG Fr= 1--   -135.1962               -46.6579               -13.0560
 Gamma2 Fr= 1--   -500.5476               157.6039              -343.3354
 Delta2 Fr= 1--   -577.7261                86.5793                19.2157
 Raman1 Fr= 1--    9042.830               1797.353               1157.036
 ROA1   Fr= 1--  -66539.802              17900.512             -32345.298
 CID1   Fr= 1--      -7.358                  9.959                -27.955
 Raman2 Fr= 1--    1059.439                183.453                347.752
 ROA2   Fr= 1--   -7391.332               3089.860              -8393.776
 CID2   Fr= 1--      -6.977                 16.843                -24.137
 Raman3 Fr= 1--    2118.879                366.905                695.503
 ROA3   Fr= 1--  -66539.802              17900.512             -32345.298
 CID3   Fr= 1--     -31.403                 48.788                -46.506
 RC180  Fr= 1--      -0.531                 -0.592                  0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.00   0.02     0.07   0.04   0.12     0.09   0.04   0.11
     2   6    -0.00  -0.01  -0.01    -0.08  -0.06  -0.12    -0.00  -0.02  -0.02
     3   6     0.01   0.00   0.01     0.10  -0.02   0.07    -0.03   0.03  -0.00
     4   1     0.01  -0.00   0.01     0.07  -0.01   0.07     0.20  -0.09   0.08
     5   6    -0.01   0.00  -0.00    -0.03   0.10   0.06    -0.01   0.01   0.00
     6   1     0.00  -0.02  -0.02     0.06  -0.12  -0.06     0.04  -0.11  -0.06
     7   6     0.01  -0.01   0.00    -0.03  -0.07  -0.07     0.02   0.01   0.03
     8   1     0.03   0.00   0.03     0.05  -0.01  -0.01    -0.11  -0.09  -0.15
     9   6    -0.01   0.04   0.02     0.09  -0.07   0.03     0.02  -0.04  -0.01
    10   6    -0.01  -0.03  -0.02     0.02  -0.02  -0.01     0.04   0.02   0.04
    11   6    -0.02   0.01  -0.01    -0.13   0.15  -0.01    -0.07   0.01  -0.05
    12   6     0.05  -0.14  -0.02     0.15  -0.15   0.05     0.09   0.15   0.11
    13   6     0.04   0.18   0.10    -0.03   0.08   0.03    -0.04  -0.15  -0.09
    14   6     0.01  -0.04  -0.02    -0.06   0.01  -0.03    -0.05   0.03  -0.00
    15   6    -0.25  -0.05  -0.09    -0.06   0.05  -0.01    -0.01  -0.15  -0.03
    16   6     0.30   0.06   0.11    -0.09  -0.02  -0.04    -0.08  -0.00  -0.01
    17   6     0.03  -0.11  -0.04     0.09  -0.03   0.02    -0.04   0.12   0.04
    18   6    -0.14   0.05  -0.03    -0.07   0.03  -0.01     0.06  -0.06  -0.01
    19   6    -0.02   0.15   0.03     0.13   0.00   0.01     0.01   0.24   0.04
    20   6     0.14  -0.14  -0.03    -0.12   0.10   0.02     0.07  -0.14  -0.04
    21   6    -0.10  -0.09  -0.05     0.02   0.04   0.02    -0.04  -0.08  -0.04
    22   6    -0.04   0.10   0.03     0.04  -0.08  -0.02     0.05   0.12   0.05
    23   6    -0.00  -0.01  -0.00     0.03  -0.13  -0.06    -0.01  -0.12  -0.03
    24   6    -0.01   0.03   0.01    -0.01  -0.08  -0.03    -0.03  -0.01  -0.00
    25   6    -0.03   0.02   0.01     0.01   0.02   0.00    -0.04   0.04   0.02
    26   6     0.00  -0.05  -0.02    -0.02   0.07   0.03     0.04   0.01  -0.00
    27   6     0.01   0.01   0.00    -0.04   0.05   0.02    -0.06   0.05   0.03
    28   6    -0.01  -0.00   0.00     0.07  -0.07  -0.04     0.03  -0.07  -0.03
    29   6     0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.08   0.04   0.00
    30   6    -0.01   0.01   0.01    -0.10   0.06   0.05    -0.11   0.02   0.03
    31   1    -0.01  -0.03  -0.01     0.19   0.11   0.20     0.01  -0.01   0.00
    32   1     0.29  -0.19   0.09     0.28  -0.16   0.08    -0.15   0.10  -0.07
    33   1     0.09  -0.40  -0.06     0.03   0.19   0.10     0.05  -0.21  -0.09
    34   1    -0.05   0.03  -0.03     0.10  -0.01   0.01     0.21  -0.14   0.06
    35   1    -0.03  -0.04   0.00     0.16   0.17   0.07     0.00  -0.07   0.01
    36   1    -0.11   0.40   0.06    -0.02   0.07   0.04     0.19  -0.28  -0.08
    37   1     0.20   0.27   0.07     0.01  -0.07  -0.00     0.27   0.32   0.09
    38   1    -0.04   0.03   0.01     0.24  -0.03  -0.02     0.22  -0.00  -0.02
    39   1     0.05   0.01  -0.01    -0.08   0.06   0.05     0.13   0.02   0.01
    40   1    -0.01   0.02   0.01    -0.05   0.31   0.14    -0.01   0.08   0.03
    41  35     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.03   0.01  -0.00     0.31   0.03  -0.07     0.06   0.00  -0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1402.5530              1426.3335              1430.5811
 Red. masses --      5.7357                 3.0050                 3.1977
 Frc consts  --      6.6477                 3.6020                 3.8558
 IR Inten    --      2.8864                 2.5018                 2.3080
 RamAct Fr= 1--    355.1121               413.1235                22.0128
  Dep-P Fr= 1--      0.7101                 0.0693                 0.1760
  Dep-U Fr= 1--      0.8305                 0.1297                 0.2993
 Alpha2 Fr= 1--      0.2454                 7.7918                 0.3184
 Beta2  Fr= 1--     49.1527                 8.9276                 1.0981
 AlphaG Fr= 1--     -0.9238               -35.0570                -0.9779
 Gamma2 Fr= 1--  -1094.3995               226.3513                -2.6198
 Delta2 Fr= 1--   -230.2975                57.7344                -3.4013
 Raman1 Fr= 1--    1420.448               1652.494                 88.051
 ROA1   Fr= 1-- -112431.867              23577.230               -360.341
 CID1   Fr= 1--     -79.152                 14.268                 -4.092
 Raman2 Fr= 1--     589.832                107.131                 13.177
 ROA2   Fr= 1--  -24423.207               4970.557                -35.665
 CID2   Fr= 1--     -41.407                 46.397                 -2.707
 Raman3 Fr= 1--    1179.664                214.262                 26.354
 ROA3   Fr= 1-- -112431.867              23577.230               -360.341
 CID3   Fr= 1--     -95.308                110.039                -13.673
 RC180  Fr= 1--       0.661                 -0.741                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.11  -0.21     0.06   0.08   0.15    -0.10  -0.08  -0.16
     2   6     0.00  -0.03  -0.02    -0.03   0.01  -0.02     0.04   0.02   0.06
     3   6     0.04  -0.02   0.01     0.02  -0.00   0.01    -0.02  -0.01  -0.03
     4   1    -0.03   0.02  -0.01    -0.04   0.02   0.00    -0.07   0.02  -0.05
     5   6    -0.01   0.02   0.01     0.00   0.01   0.01     0.01  -0.04  -0.02
     6   1    -0.02   0.04   0.01     0.00   0.01   0.01    -0.04   0.07   0.03
     7   6    -0.03  -0.00  -0.02    -0.00  -0.03  -0.02    -0.01   0.04   0.03
     8   1    -0.06  -0.02  -0.08     0.11   0.06   0.13    -0.11  -0.03  -0.10
     9   6     0.07  -0.07   0.00    -0.03   0.06   0.02     0.03  -0.06  -0.02
    10   6     0.09   0.01   0.06    -0.05  -0.02  -0.05     0.03   0.06   0.05
    11   6    -0.10   0.13  -0.00     0.05  -0.05   0.00     0.00  -0.01   0.00
    12   6     0.14  -0.03   0.10    -0.06  -0.04  -0.05    -0.05   0.11   0.00
    13   6    -0.09  -0.18  -0.12     0.01   0.10   0.04     0.02  -0.07  -0.02
    14   6    -0.10   0.06  -0.03     0.06  -0.02   0.02    -0.01  -0.02  -0.01
    15   6    -0.04   0.22   0.01     0.10  -0.03   0.03    -0.03  -0.07  -0.02
    16   6     0.03  -0.09  -0.03    -0.07  -0.00  -0.02     0.13   0.03   0.05
    17   6     0.04  -0.03   0.00    -0.01  -0.01  -0.00    -0.03   0.04   0.01
    18   6    -0.01   0.09   0.04     0.05  -0.04   0.00    -0.04   0.01  -0.02
    19   6    -0.18  -0.10  -0.01    -0.12   0.06   0.01    -0.05  -0.06  -0.00
    20   6     0.20  -0.13  -0.02     0.03  -0.05  -0.01    -0.05   0.12   0.03
    21   6    -0.04   0.09   0.03     0.05   0.03   0.02    -0.00  -0.04  -0.01
    22   6    -0.03  -0.04  -0.02    -0.03   0.03   0.00    -0.03  -0.02  -0.01
    23   6     0.06   0.17   0.04     0.14   0.03  -0.02     0.17  -0.05  -0.06
    24   6     0.09   0.10   0.03     0.09  -0.00   0.00     0.03  -0.06  -0.02
    25   6    -0.12  -0.03  -0.01    -0.13   0.03   0.01    -0.02   0.01   0.00
    26   6    -0.04  -0.11  -0.04    -0.05  -0.10  -0.03    -0.08   0.02   0.02
    27   6     0.04   0.01   0.00    -0.01   0.07   0.03     0.04   0.03   0.01
    28   6     0.00   0.02   0.01     0.07  -0.05  -0.03     0.06  -0.04  -0.03
    29   6    -0.04  -0.04  -0.01    -0.06  -0.05  -0.01    -0.16  -0.08  -0.01
    30   6     0.03  -0.03  -0.01    -0.06   0.05   0.04     0.03   0.09   0.04
    31   1     0.06  -0.03   0.03     0.01   0.04   0.02    -0.11  -0.06  -0.10
    32   1    -0.08   0.06  -0.05     0.03  -0.02   0.04    -0.18   0.07  -0.08
    33   1     0.01   0.11   0.06    -0.06   0.19   0.04     0.07  -0.35  -0.11
    34   1     0.37  -0.04   0.14    -0.30   0.10  -0.09     0.26  -0.11   0.06
    35   1    -0.36  -0.19  -0.11    -0.22  -0.23  -0.11     0.19   0.14   0.07
    36   1    -0.08   0.09   0.02     0.06  -0.28  -0.07    -0.10   0.22   0.04
    37   1     0.07   0.07  -0.01     0.15   0.06   0.00     0.03  -0.06  -0.01
    38   1    -0.06  -0.05  -0.01     0.21  -0.05  -0.01     0.13  -0.03  -0.01
    39   1     0.11   0.01  -0.03     0.16   0.06  -0.00    -0.20   0.08   0.06
    40   1    -0.01   0.06   0.02    -0.05   0.32   0.14    -0.08   0.40   0.19
    41  35    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    42   1     0.25  -0.04  -0.09     0.40   0.01  -0.11     0.15   0.10  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1457.3724              1463.3395              1476.4824
 Red. masses --      1.9830                 1.9286                 2.3270
 Frc consts  --      2.4814                 2.4332                 2.9888
 IR Inten    --      0.5247                 6.0050                 3.1106
 RamAct Fr= 1--     11.2226                38.8633                33.7751
  Dep-P Fr= 1--      0.7044                 0.3975                 0.4042
  Dep-U Fr= 1--      0.8266                 0.5689                 0.5757
 Alpha2 Fr= 1--      0.0089                 0.2904                 0.2465
 Beta2  Fr= 1--      1.5460                 3.6849                 3.2406
 AlphaG Fr= 1--     -0.1558                -0.9737                -2.0819
 Gamma2 Fr= 1--     -8.4735                15.8441                -4.7995
 Delta2 Fr= 1--     -1.4678                28.8845                24.0575
 Raman1 Fr= 1--      44.891                155.453                135.100
 ROA1   Fr= 1--    -860.426               2445.335                309.092
 CID1   Fr= 1--     -19.167                 15.730                  2.288
 Raman2 Fr= 1--      18.552                 44.219                 38.887
 ROA2   Fr= 1--    -191.622                149.181               -307.647
 CID2   Fr= 1--     -10.329                  3.374                 -7.911
 Raman3 Fr= 1--      37.104                 88.438                 77.774
 ROA3   Fr= 1--    -860.426               2445.335                309.092
 CID3   Fr= 1--     -23.189                 27.650                  3.974
 RC180  Fr= 1--       0.653                  0.138                  0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.07  -0.05    -0.05  -0.00  -0.05     0.25   0.14   0.38
     2   6     0.05  -0.04   0.01    -0.01   0.02   0.01    -0.04  -0.06  -0.10
     3   6    -0.07   0.00  -0.05     0.04  -0.01   0.02    -0.05   0.04  -0.01
     4   1     0.20  -0.14   0.04    -0.14   0.09  -0.04     0.36  -0.17   0.15
     5   6    -0.04   0.05   0.01     0.01  -0.03  -0.02     0.01   0.08   0.08
     6   1     0.11  -0.35  -0.20    -0.07   0.18   0.09     0.14  -0.23  -0.08
     7   6     0.08   0.03   0.08    -0.04  -0.00  -0.03     0.03  -0.07  -0.04
     8   1    -0.20  -0.19  -0.30     0.06   0.08   0.10     0.14   0.00   0.11
     9   6    -0.02  -0.00  -0.02     0.02  -0.00   0.02    -0.10   0.05  -0.04
    10   6    -0.03  -0.08  -0.07     0.03   0.02   0.03    -0.05  -0.00  -0.03
    11   6     0.01   0.06   0.06    -0.02  -0.01  -0.03     0.07  -0.01   0.06
    12   6    -0.03   0.00  -0.03     0.02  -0.01   0.02     0.01  -0.02   0.00
    13   6     0.02  -0.06  -0.01    -0.04   0.01  -0.01    -0.00  -0.03  -0.02
    14   6    -0.07   0.09   0.01    -0.01  -0.02  -0.02     0.10  -0.01   0.05
    15   6     0.00   0.01   0.00    -0.00   0.02  -0.00    -0.01   0.07   0.00
    16   6     0.04   0.02   0.02     0.02  -0.03  -0.00     0.00  -0.05  -0.01
    17   6    -0.03  -0.05  -0.03     0.01  -0.04  -0.01    -0.01   0.08   0.03
    18   6     0.06   0.01   0.03     0.02   0.02   0.02    -0.04  -0.01  -0.02
    19   6    -0.02  -0.02  -0.00    -0.01  -0.00   0.00    -0.04  -0.03  -0.00
    20   6    -0.01   0.02   0.00     0.01   0.02   0.00     0.06   0.01   0.01
    21   6     0.03  -0.00   0.00     0.07   0.02   0.02    -0.04   0.01  -0.00
    22   6    -0.03   0.03   0.00    -0.06   0.06   0.01     0.01  -0.03  -0.01
    23   6     0.01  -0.01  -0.01    -0.03  -0.05  -0.01    -0.01  -0.01  -0.00
    24   6    -0.02  -0.03  -0.01    -0.07  -0.10  -0.04    -0.01  -0.02  -0.01
    25   6    -0.01   0.01   0.01    -0.04   0.06   0.02    -0.03   0.00   0.00
    26   6    -0.00   0.01   0.01     0.03   0.03   0.01    -0.01   0.03   0.01
    27   6     0.03  -0.01  -0.01     0.10  -0.03  -0.03     0.07  -0.01  -0.02
    28   6    -0.01  -0.01  -0.00    -0.06  -0.02   0.00    -0.02  -0.02  -0.00
    29   6    -0.02   0.00   0.00    -0.02   0.03   0.02    -0.03   0.02   0.01
    30   6     0.03   0.01  -0.00     0.07   0.00  -0.01     0.06   0.00  -0.01
    31   1     0.28   0.17   0.27    -0.06  -0.06  -0.07    -0.08  -0.01  -0.07
    32   1     0.37  -0.11   0.14    -0.07   0.00  -0.04    -0.21   0.14  -0.03
    33   1    -0.10   0.16   0.04    -0.03   0.13   0.04     0.09  -0.24  -0.08
    34   1    -0.19   0.10  -0.03    -0.09   0.06  -0.00     0.20  -0.10   0.04
    35   1    -0.05  -0.08  -0.04    -0.18  -0.21  -0.10     0.03   0.08   0.04
    36   1     0.01  -0.09  -0.04     0.05  -0.28  -0.10    -0.03   0.11   0.03
    37   1     0.08   0.07   0.03     0.31   0.30   0.12     0.10   0.09   0.04
    38   1     0.11  -0.01  -0.01     0.37  -0.02  -0.02     0.12  -0.03  -0.02
    39   1    -0.12   0.02   0.02    -0.36   0.03   0.06    -0.23   0.03   0.04
    40   1    -0.04   0.06   0.03    -0.10   0.08   0.05    -0.07   0.09   0.05
    41  35     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.08   0.02   0.03    -0.30   0.04   0.10    -0.16   0.02   0.05
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1510.5942              1515.5424              1537.3284
 Red. masses --      3.5609                 3.1298                 3.4101
 Frc consts  --      4.7874                 4.2355                 4.7485
 IR Inten    --     10.3182                 5.2962                17.7397
 RamAct Fr= 1--     40.2060                97.8373               100.2902
  Dep-P Fr= 1--      0.6856                 0.6881                 0.2027
  Dep-U Fr= 1--      0.8135                 0.8153                 0.3371
 Alpha2 Fr= 1--      0.0455                 0.1063                 1.3523
 Beta2  Fr= 1--      5.4511                13.2937                 5.6339
 AlphaG Fr= 1--     -0.3348                -1.3317                -3.6172
 Gamma2 Fr= 1--    -29.2590               -73.6450              -111.2431
 Delta2 Fr= 1--     33.0406                50.8366               -25.7690
 Raman1 Fr= 1--     160.824                391.349                401.161
 ROA1   Fr= 1--   -1751.560              -5443.145             -11503.951
 CID1   Fr= 1--     -10.891                -13.909                -28.677
 Raman2 Fr= 1--      65.413                159.525                 67.606
 ROA2   Fr= 1--    -966.540              -2174.172              -2463.683
 CID2   Fr= 1--     -14.776                -13.629                -36.442
 Raman3 Fr= 1--     130.827                319.049                135.213
 ROA3   Fr= 1--   -1751.560              -5443.145             -11503.951
 CID3   Fr= 1--     -13.388                -17.061                -85.080
 RC180  Fr= 1--       0.627                  0.631                 -0.326
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.10   0.10   0.18     0.13   0.04   0.17     0.05   0.07   0.11
     2   6    -0.06  -0.01  -0.06     0.00  -0.04  -0.04    -0.04  -0.00  -0.04
     3   6     0.04   0.03   0.05    -0.07   0.04  -0.02     0.03   0.02   0.04
     4   1    -0.03   0.07   0.04     0.25  -0.13   0.09    -0.07   0.07   0.01
     5   6     0.03  -0.05  -0.02     0.03   0.03   0.05     0.02  -0.06  -0.04
     6   1    -0.07   0.22   0.13     0.08  -0.09  -0.01    -0.08   0.19   0.09
     7   6    -0.06  -0.02  -0.06    -0.00  -0.04  -0.03    -0.04   0.01  -0.03
     8   1     0.16   0.15   0.24     0.08   0.02   0.07     0.07   0.09   0.12
     9   6     0.02   0.10   0.08    -0.05  -0.02  -0.05     0.04   0.09   0.09
    10   6     0.01  -0.07  -0.04     0.04   0.05   0.06    -0.04  -0.08  -0.08
    11   6     0.01  -0.05  -0.03     0.04   0.03   0.06     0.01  -0.05  -0.02
    12   6     0.06   0.01   0.05     0.01   0.02   0.01     0.00   0.03   0.02
    13   6    -0.07  -0.04  -0.06    -0.09  -0.02  -0.06     0.07  -0.07   0.01
    14   6    -0.05   0.04  -0.01     0.04  -0.04   0.00    -0.05   0.07   0.01
    15   6    -0.02   0.05  -0.01    -0.06   0.01  -0.02    -0.02   0.04  -0.00
    16   6     0.01   0.06   0.03     0.10  -0.03   0.02     0.04  -0.03   0.00
    17   6    -0.07  -0.03  -0.03     0.03  -0.10  -0.03    -0.05   0.09   0.02
    18   6     0.16  -0.05   0.04     0.01   0.07   0.04     0.01  -0.04  -0.02
    19   6    -0.07  -0.02   0.00     0.02  -0.03  -0.00    -0.03  -0.06  -0.01
    20   6     0.03  -0.04  -0.01    -0.12  -0.02  -0.02     0.05   0.08   0.03
    21   6    -0.07  -0.12  -0.05     0.11  -0.00   0.02    -0.02   0.01   0.00
    22   6     0.05   0.08   0.04    -0.08   0.12   0.03    -0.01  -0.03  -0.01
    23   6     0.04  -0.06  -0.03     0.06  -0.02  -0.02     0.05  -0.01  -0.02
    24   6     0.01   0.08   0.03    -0.05   0.00   0.00    -0.08  -0.10  -0.03
    25   6     0.11  -0.07  -0.03     0.11   0.01   0.00    -0.03   0.06   0.02
    26   6    -0.10   0.10   0.05     0.03   0.02   0.00     0.13   0.00  -0.02
    27   6     0.02   0.00  -0.00    -0.10  -0.02   0.01    -0.08  -0.07  -0.02
    28   6     0.03  -0.03  -0.02     0.03   0.10   0.04    -0.02   0.18   0.08
    29   6    -0.10  -0.02   0.01    -0.03  -0.10  -0.04     0.00  -0.12  -0.05
    30   6     0.09   0.03  -0.00    -0.04   0.04   0.03    -0.07   0.04   0.03
    31   1     0.12   0.02   0.08    -0.16  -0.12  -0.17     0.19   0.10   0.17
    32   1     0.12  -0.04   0.05    -0.24   0.09  -0.09     0.20  -0.05   0.09
    33   1    -0.13   0.16   0.02    -0.04   0.17   0.06     0.03  -0.21  -0.08
    34   1    -0.34   0.13  -0.06    -0.03   0.09   0.03     0.05  -0.07  -0.01
    35   1     0.20   0.12   0.08    -0.13  -0.23  -0.11     0.02   0.05   0.02
    36   1     0.08   0.00   0.01     0.06  -0.32  -0.12    -0.04   0.07   0.01
    37   1    -0.21  -0.14  -0.05    -0.09  -0.02  -0.00     0.20   0.20   0.08
    38   1    -0.31   0.01   0.01    -0.17   0.07   0.03     0.21   0.01  -0.00
    39   1    -0.16   0.04   0.04     0.28  -0.08  -0.07     0.25  -0.13  -0.09
    40   1    -0.03   0.16   0.08     0.14  -0.19  -0.10     0.16  -0.35  -0.18
    41  35     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1    -0.14   0.06   0.06     0.23   0.02  -0.05     0.28   0.01  -0.07
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1549.6887              1557.1988              1588.0023
 Red. masses --      3.9321                 3.7726                 7.8670
 Frc consts  --      5.5637                 5.3899                11.6886
 IR Inten    --      4.6831                 2.1793                 0.4062
 RamAct Fr= 1--     62.7051                11.1008                16.6566
  Dep-P Fr= 1--      0.5915                 0.2490                 0.6829
  Dep-U Fr= 1--      0.7433                 0.3987                 0.8116
 Alpha2 Fr= 1--      0.1850                 0.1319                 0.0197
 Beta2  Fr= 1--      7.7684                 0.7376                 2.2530
 AlphaG Fr= 1--     -0.6192                -0.4720                 0.1989
 Gamma2 Fr= 1--   -287.6751               -39.1371               -25.2177
 Delta2 Fr= 1--    -56.0118                -7.5298                -8.4646
 Raman1 Fr= 1--     250.820                 44.403                 66.626
 ROA1   Fr= 1--  -29409.183              -3998.113              -2691.770
 CID1   Fr= 1--    -117.252                -90.041                -40.401
 Raman2 Fr= 1--      93.221                  8.852                 27.036
 ROA2   Fr= 1--   -6456.107               -879.052               -537.509
 CID2   Fr= 1--     -69.256                -99.308                -19.881
 Raman3 Fr= 1--     186.441                 17.704                 54.072
 ROA3   Fr= 1--  -29409.183              -3998.113              -2691.770
 CID3   Fr= 1--    -157.740               -225.837                -49.781
 RC180  Fr= 1--       0.487                 -0.203                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.21   0.06   0.27     0.14   0.07   0.20    -0.12   0.08  -0.04
     2   6     0.00  -0.08  -0.07    -0.02  -0.05  -0.06    -0.09   0.08  -0.00
     3   6    -0.13   0.11  -0.01    -0.06   0.08   0.02     0.21  -0.13   0.05
     4   1     0.31  -0.11   0.15     0.11  -0.00   0.09    -0.33   0.13  -0.14
     5   6     0.09  -0.09  -0.00     0.07  -0.12  -0.04    -0.11   0.17   0.05
     6   1    -0.00   0.18   0.15    -0.07   0.25   0.15     0.02  -0.21  -0.15
     7   6    -0.07  -0.00  -0.06    -0.06   0.03  -0.03     0.06  -0.07  -0.01
     8   1     0.12   0.14   0.20     0.07   0.13   0.15     0.05  -0.09  -0.03
     9   6     0.02  -0.00   0.01     0.06   0.05   0.08    -0.10   0.14   0.02
    10   6     0.09   0.02   0.06    -0.02  -0.06  -0.05    -0.05  -0.05  -0.06
    11   6     0.04   0.05   0.08     0.03   0.00   0.04     0.04  -0.17  -0.09
    12   6    -0.03   0.06  -0.01    -0.05   0.05  -0.02     0.10   0.12   0.11
    13   6    -0.06  -0.03  -0.04     0.13  -0.09   0.03    -0.09  -0.12  -0.10
    14   6    -0.07  -0.00  -0.04    -0.08   0.07  -0.01     0.06   0.03   0.05
    15   6    -0.02  -0.09  -0.02    -0.03  -0.01  -0.00    -0.17   0.01  -0.06
    16   6     0.02   0.17   0.06     0.07  -0.12  -0.02     0.18   0.00   0.05
    17   6    -0.01  -0.13  -0.05     0.03   0.06   0.03    -0.07   0.01  -0.02
    18   6     0.07   0.02   0.04    -0.13   0.04  -0.04     0.10  -0.01   0.03
    19   6     0.05  -0.02  -0.01     0.07   0.02   0.00     0.15  -0.13  -0.02
    20   6     0.01   0.10   0.03    -0.13  -0.07  -0.03    -0.15   0.13   0.03
    21   6    -0.04  -0.00  -0.01     0.13   0.08   0.05     0.06  -0.02   0.00
    22   6     0.04  -0.11  -0.03    -0.08   0.04  -0.01    -0.06   0.04   0.00
    23   6    -0.03   0.08   0.03    -0.03   0.03   0.02    -0.01   0.18   0.07
    24   6     0.06  -0.05  -0.01     0.03   0.05   0.02     0.03  -0.05  -0.02
    25   6    -0.13   0.04   0.02     0.05  -0.02  -0.01    -0.03   0.05   0.02
    26   6     0.04  -0.09  -0.04    -0.07  -0.04  -0.00    -0.03  -0.18  -0.06
    27   6     0.02   0.02   0.01     0.01   0.05   0.02     0.00   0.08   0.03
    28   6    -0.02  -0.04  -0.01     0.03  -0.11  -0.05     0.01  -0.13  -0.06
    29   6     0.08   0.06   0.01     0.02   0.07   0.03     0.13   0.13   0.04
    30   6    -0.06  -0.04  -0.01     0.01  -0.03  -0.02    -0.11  -0.08  -0.01
    31   1    -0.05  -0.11  -0.10     0.15   0.07   0.13     0.03   0.03   0.03
    32   1     0.02  -0.06  -0.02     0.21  -0.06   0.08    -0.11   0.12  -0.00
    33   1    -0.12   0.24   0.07     0.10  -0.20  -0.04    -0.04  -0.10  -0.04
    34   1    -0.16   0.11  -0.01     0.30  -0.12   0.06    -0.07   0.04   0.01
    35   1     0.11   0.15   0.06    -0.21  -0.22  -0.12     0.06  -0.02  -0.01
    36   1    -0.08   0.28   0.09    -0.02  -0.19  -0.07    -0.03  -0.02  -0.03
    37   1     0.10  -0.01  -0.00    -0.13  -0.11  -0.04     0.00  -0.07  -0.01
    38   1     0.22  -0.04  -0.02    -0.16   0.02   0.02    -0.00   0.04   0.02
    39   1     0.01   0.02   0.00    -0.03   0.07   0.03     0.07   0.07   0.02
    40   1    -0.04   0.00   0.01    -0.07   0.18   0.09    -0.08   0.11   0.06
    41  35    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   1     0.05  -0.06  -0.03    -0.09  -0.02   0.01     0.12  -0.12  -0.08
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1615.0800              1636.6685              1643.3537
 Red. masses --      6.8499                 6.0285                 6.5238
 Frc consts  --     10.5274                 9.5143                10.3803
 IR Inten    --      2.4007                31.0050                 3.1039
 RamAct Fr= 1--    152.5219               102.0411               184.2325
  Dep-P Fr= 1--      0.7463                 0.5335                 0.5489
  Dep-U Fr= 1--      0.8547                 0.6958                 0.7087
 Alpha2 Fr= 1--      0.0095                 0.4269                 0.7088
 Beta2  Fr= 1--     21.7279                11.8327                21.7624
 AlphaG Fr= 1--     -0.0498                 0.7474                -1.7541
 Gamma2 Fr= 1--     -2.3227               -55.0461               -17.1333
 Delta2 Fr= 1--     59.7744                27.0396                33.2990
 Raman1 Fr= 1--     610.087                408.164                736.930
 ROA1   Fr= 1--    1689.799              -4419.158               -579.231
 CID1   Fr= 1--       2.770                -10.827                 -0.786
 Raman2 Fr= 1--     260.734                141.992                261.148
 ROA2   Fr= 1--    -533.941              -1537.423               -677.591
 CID2   Fr= 1--      -2.048                -10.827                 -2.595
 Raman3 Fr= 1--     521.469                283.985                522.296
 ROA3   Fr= 1--    1689.799              -4419.158               -579.231
 CID3   Fr= 1--       3.240                -15.561                 -1.109
 RC180  Fr= 1--       0.709                  0.392                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.11  -0.10     0.00   0.02   0.03    -0.02  -0.07  -0.09
     2   6     0.10  -0.04   0.05    -0.02   0.01  -0.01     0.06  -0.01   0.04
     3   6    -0.16   0.08  -0.05     0.02  -0.01   0.01    -0.07   0.04  -0.03
     4   1     0.20  -0.10   0.07    -0.02   0.01  -0.01     0.07  -0.03   0.02
     5   6     0.07  -0.11  -0.03    -0.01   0.02   0.01     0.03  -0.06  -0.02
     6   1    -0.01   0.10   0.08     0.01  -0.02  -0.01    -0.01   0.06   0.04
     7   6    -0.04   0.06   0.01     0.00  -0.01  -0.01    -0.02   0.04   0.01
     8   1    -0.06   0.05  -0.01     0.02  -0.00   0.01    -0.04   0.03  -0.01
     9   6     0.11  -0.11   0.01    -0.02   0.02  -0.00     0.09  -0.05   0.03
    10   6    -0.07   0.02  -0.03     0.03  -0.00   0.01    -0.13  -0.01  -0.09
    11   6    -0.10   0.13   0.01     0.03  -0.02   0.01    -0.09   0.06  -0.04
    12   6     0.04  -0.15  -0.03    -0.02   0.03  -0.01     0.10  -0.04   0.05
    13   6    -0.05   0.13   0.03     0.04  -0.03   0.01    -0.14   0.06  -0.05
    14   6     0.08  -0.05   0.02    -0.04   0.01  -0.01     0.17  -0.04   0.08
    15   6    -0.01   0.15   0.02     0.03  -0.01   0.01    -0.13  -0.02  -0.04
    16   6     0.02  -0.15  -0.04    -0.02  -0.01  -0.01     0.11   0.01   0.04
    17   6    -0.08   0.17   0.04     0.04  -0.04  -0.00    -0.12   0.14   0.01
    18   6     0.11  -0.12  -0.00    -0.06   0.04  -0.01     0.19  -0.11   0.03
    19   6    -0.00  -0.14  -0.02    -0.01   0.01   0.00     0.10   0.06   0.01
    20   6     0.01   0.13   0.04    -0.05  -0.02  -0.01    -0.14  -0.10  -0.04
    21   6    -0.06  -0.16  -0.07    -0.00  -0.05  -0.02     0.11   0.15   0.07
    22   6    -0.01   0.20   0.07     0.00   0.07   0.02    -0.05  -0.13  -0.06
    23   6     0.07   0.13   0.03     0.15  -0.08  -0.06    -0.06  -0.09  -0.02
    24   6    -0.09  -0.08  -0.03     0.11   0.07   0.02     0.20   0.12   0.04
    25   6     0.09   0.04   0.01    -0.05  -0.05  -0.02    -0.19  -0.05  -0.01
    26   6    -0.08  -0.12  -0.03    -0.19   0.06   0.05     0.05   0.08   0.02
    27   6     0.04   0.04   0.01     0.33  -0.11  -0.10     0.05  -0.05  -0.03
    28   6    -0.01  -0.07  -0.03    -0.20   0.14   0.09    -0.04   0.08   0.04
    29   6     0.11   0.09   0.02     0.19   0.04  -0.02    -0.02  -0.04  -0.02
    30   6    -0.13  -0.05   0.01    -0.28   0.01   0.06     0.03   0.03   0.00
    31   1     0.02   0.10   0.07    -0.00  -0.03  -0.02     0.05   0.15   0.12
    32   1    -0.08   0.03  -0.01     0.04  -0.02   0.01    -0.19   0.14  -0.02
    33   1     0.02  -0.23  -0.10     0.02   0.05   0.03    -0.05  -0.19  -0.10
    34   1    -0.21  -0.01  -0.09     0.09  -0.01   0.03    -0.25   0.03  -0.08
    35   1     0.22   0.08   0.07     0.05  -0.01   0.01    -0.20  -0.12  -0.08
    36   1     0.14  -0.23  -0.07     0.05  -0.09  -0.02    -0.13   0.12   0.02
    37   1     0.07   0.09   0.05    -0.10  -0.16  -0.06    -0.13  -0.24  -0.10
    38   1    -0.13   0.09   0.04    -0.04  -0.07  -0.02     0.17  -0.14  -0.06
    39   1    -0.00   0.05   0.02    -0.47  -0.01   0.06    -0.09  -0.04  -0.00
    40   1    -0.05   0.03   0.02    -0.07  -0.29  -0.12     0.01  -0.09  -0.04
    41  35    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.08  -0.08     0.34  -0.06  -0.12    -0.06   0.03   0.03
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1652.4178              1660.7254              1663.4565
 Red. masses --      5.4728                 6.1962                 6.2504
 Frc consts  --      8.8043                10.0687                10.1902
 IR Inten    --      1.5860                 0.5516                 1.1964
 RamAct Fr= 1--    163.3964               285.2884                74.4922
  Dep-P Fr= 1--      0.1446                 0.0653                 0.1303
  Dep-U Fr= 1--      0.2527                 0.1225                 0.2305
 Alpha2 Fr= 1--      2.5604                 5.4335                 1.2101
 Beta2  Fr= 1--      6.8824                 5.8260                 2.8622
 AlphaG Fr= 1--     -7.6298               -28.3505                -8.1219
 Gamma2 Fr= 1--    -29.4460                98.9377                18.9771
 Delta2 Fr= 1--    -14.6011               -23.5117                 0.2907
 Raman1 Fr= 1--     653.586               1141.153                297.969
 ROA1   Fr= 1--   -3294.054               8745.643               1831.104
 CID1   Fr= 1--      -5.040                  7.664                  6.145
 Raman2 Fr= 1--      82.588                 69.912                 34.347
 ROA2   Fr= 1--    -589.896               2562.599                453.125
 CID2   Fr= 1--      -7.143                 36.655                 13.193
 Raman3 Fr= 1--     165.177                139.824                 68.693
 ROA3   Fr= 1--   -3294.054               8745.643               1831.104
 CID3   Fr= 1--     -19.943                 62.548                 26.656
 RC180  Fr= 1--      -0.495                 -0.755                 -0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.12   0.12   0.23     0.02   0.02   0.04     0.10   0.12   0.22
     2   6    -0.14  -0.07  -0.18    -0.02  -0.01  -0.03    -0.13  -0.04  -0.15
     3   6     0.12   0.03   0.13     0.02   0.00   0.02     0.13  -0.02   0.09
     4   1    -0.19   0.19   0.03    -0.02   0.02   0.00    -0.14   0.12   0.00
     5   6    -0.02  -0.19  -0.18    -0.00  -0.02  -0.02    -0.04  -0.04  -0.07
     6   1    -0.22   0.27   0.06    -0.03   0.03   0.00    -0.09   0.07  -0.02
     7   6     0.11   0.18   0.22     0.02   0.02   0.03     0.10   0.06   0.12
     8   1    -0.27  -0.08  -0.26    -0.04  -0.02  -0.04    -0.12  -0.10  -0.15
     9   6    -0.03  -0.08  -0.08    -0.01  -0.02  -0.02    -0.15  -0.04  -0.15
    10   6    -0.15  -0.01  -0.10     0.00   0.01   0.01     0.22   0.07   0.18
    11   6     0.01   0.09   0.08     0.00   0.01   0.01     0.10   0.04   0.12
    12   6     0.02   0.03   0.02     0.02  -0.01   0.01    -0.04  -0.10  -0.07
    13   6    -0.06  -0.03  -0.05    -0.05   0.03  -0.01     0.03   0.09   0.05
    14   6     0.19  -0.02   0.10     0.01  -0.01   0.00    -0.21   0.00  -0.12
    15   6     0.02  -0.01   0.00    -0.03  -0.06  -0.02    -0.04   0.06  -0.00
    16   6    -0.03   0.04   0.00     0.03   0.09   0.04     0.06  -0.09  -0.01
    17   6     0.07  -0.12  -0.02    -0.07   0.05  -0.00    -0.11   0.19   0.04
    18   6    -0.07   0.09   0.01     0.10  -0.06   0.01     0.15  -0.14  -0.00
    19   6    -0.00  -0.01  -0.00    -0.10   0.08   0.02     0.04  -0.02  -0.00
    20   6     0.01   0.02   0.01     0.09  -0.09  -0.02    -0.05  -0.01  -0.01
    21   6    -0.03  -0.04  -0.02     0.08   0.23   0.09     0.03   0.01   0.01
    22   6     0.02   0.03   0.01    -0.01  -0.27  -0.10    -0.03   0.02  -0.00
    23   6     0.00   0.01   0.00     0.11   0.02  -0.01    -0.03  -0.01   0.00
    24   6    -0.00  -0.01  -0.00    -0.26  -0.09  -0.03     0.07   0.03   0.01
    25   6    -0.00   0.00   0.00     0.31   0.03   0.00    -0.07  -0.01  -0.00
    26   6     0.00  -0.01  -0.00    -0.17  -0.03   0.01     0.03   0.01  -0.00
    27   6    -0.00   0.00   0.00     0.07   0.02  -0.00    -0.01  -0.01  -0.00
    28   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00     0.06   0.04   0.01    -0.01  -0.01  -0.00
    30   6    -0.01  -0.00   0.00    -0.10  -0.01   0.02     0.02   0.00  -0.00
    31   1     0.01   0.15   0.09    -0.02  -0.01  -0.02    -0.14  -0.25  -0.24
    32   1    -0.21   0.18  -0.01    -0.03   0.00  -0.01     0.18  -0.20  -0.01
    33   1     0.00   0.16   0.07    -0.05  -0.06  -0.04    -0.01  -0.24  -0.11
    34   1     0.11   0.03   0.06    -0.14   0.02  -0.05    -0.22  -0.02  -0.10
    35   1     0.06   0.03   0.02    -0.29  -0.08  -0.07    -0.02  -0.03  -0.01
    36   1     0.04  -0.02   0.00    -0.20   0.26   0.06    -0.01  -0.04  -0.02
    37   1     0.01   0.00   0.00     0.07   0.29   0.11    -0.03  -0.08  -0.03
    38   1     0.01  -0.00   0.00    -0.33   0.18   0.08     0.06  -0.04  -0.02
    39   1     0.00   0.00  -0.00    -0.08   0.04   0.02     0.01  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00    -0.03   0.01   0.01     0.01  -0.01  -0.01
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.01  -0.00  -0.00     0.13  -0.03  -0.05    -0.02   0.01   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --   3165.5592              3166.3014              3167.6821
 Red. masses --      1.0859                 1.0860                 1.0862
 Frc consts  --      6.4115                 6.4148                 6.4218
 IR Inten    --      0.9142                 1.1105                 3.7845
 RamAct Fr= 1--     14.6644                11.0326                40.2665
  Dep-P Fr= 1--      0.5828                 0.4340                 0.7223
  Dep-U Fr= 1--      0.7364                 0.6053                 0.8388
 Alpha2 Fr= 1--      0.0459                 0.0720                 0.0192
 Beta2  Fr= 1--      1.7998                 1.1130                 5.6291
 AlphaG Fr= 1--      0.1269                 0.1999                -0.0346
 Gamma2 Fr= 1--      4.6448               -20.1660                30.5433
 Delta2 Fr= 1--      4.3838                -0.7423                23.9172
 Raman1 Fr= 1--      58.658                 44.130                161.066
 ROA1   Fr= 1--     586.178              -1959.688               3697.506
 CID1   Fr= 1--       9.993                -44.407                 22.956
 Raman2 Fr= 1--      21.598                 13.356                 67.550
 ROA2   Fr= 1--      76.404               -478.045                541.701
 CID2   Fr= 1--       3.538                -35.794                  8.019
 Raman3 Fr= 1--      43.196                 26.711                135.099
 ROA3   Fr= 1--     586.178              -1959.688               3697.506
 CID3   Fr= 1--      13.570                -73.366                 27.369
 RC180  Fr= 1--       0.473                  0.211                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.02  -0.03  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     4   1    -0.01  -0.05  -0.06    -0.00  -0.03  -0.03     0.02   0.12   0.13
     5   6    -0.01   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00   0.02
     6   1     0.14  -0.00   0.11     0.07  -0.00   0.05    -0.26   0.01  -0.20
     7   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.03   0.03   0.00
     8   1    -0.21   0.25   0.02    -0.10   0.11   0.01     0.34  -0.39  -0.03
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.03   0.03   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6    -0.01  -0.04  -0.03    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01     0.01   0.00   0.00    -0.03  -0.01  -0.01
    18   6     0.01   0.02   0.01    -0.00  -0.00  -0.00     0.01   0.03   0.02
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    22   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.02   0.00   0.01
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   6     0.01  -0.01  -0.00    -0.04   0.03   0.01    -0.02   0.01   0.00
    25   6     0.00   0.01   0.00    -0.01  -0.04  -0.01    -0.00  -0.02  -0.01
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.35  -0.39  -0.02     0.12  -0.13  -0.01    -0.03   0.03   0.00
    32   1     0.13   0.48   0.32     0.04   0.14   0.10     0.02   0.05   0.04
    33   1     0.24   0.03   0.09    -0.09  -0.01  -0.04     0.39   0.06   0.15
    34   1    -0.06  -0.26  -0.13     0.01   0.04   0.02    -0.08  -0.34  -0.18
    35   1     0.09  -0.09  -0.02    -0.24   0.24   0.05     0.12  -0.12  -0.02
    36   1    -0.14  -0.03  -0.04     0.29   0.07   0.09    -0.25  -0.06  -0.08
    37   1    -0.09   0.08   0.02     0.45  -0.39  -0.12     0.19  -0.17  -0.05
    38   1    -0.02  -0.09  -0.03     0.12   0.49   0.17     0.06   0.24   0.08
    39   1     0.01   0.03   0.01    -0.03  -0.14  -0.05    -0.02  -0.09  -0.03
    40   1    -0.01  -0.00   0.00     0.03   0.01  -0.00     0.02   0.01  -0.00
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --   3168.4523              3169.8262              3173.0178
 Red. masses --      1.0862                 1.0861                 1.0887
 Frc consts  --      6.4246                 6.4298                 6.4582
 IR Inten    --      0.7320                 0.2848                 6.9245
 RamAct Fr= 1--    132.0437                85.5563               118.5434
  Dep-P Fr= 1--      0.7278                 0.7498                 0.4788
  Dep-U Fr= 1--      0.8425                 0.8570                 0.6475
 Alpha2 Fr= 1--      0.0502                 0.0002                 0.6442
 Beta2  Fr= 1--     18.5407                12.2209                12.7932
 AlphaG Fr= 1--     -0.0290                -0.0018                 0.2669
 Gamma2 Fr= 1--     15.4909               -20.1355                -7.2197
 Delta2 Fr= 1--    -10.0360               -34.5660                -6.1142
 Raman1 Fr= 1--     528.175                342.225                474.174
 ROA1   Fr= 1--    1165.978              -3039.119               -888.743
 CID1   Fr= 1--       2.208                 -8.880                 -1.874
 Raman2 Fr= 1--     222.489                146.651                153.519
 ROA2   Fr= 1--     452.070               -206.723               -124.358
 CID2   Fr= 1--       2.032                 -1.410                 -0.810
 Raman3 Fr= 1--     444.978                293.302                307.038
 ROA3   Fr= 1--    1165.978              -3039.119               -888.743
 CID3   Fr= 1--       2.620                -10.362                 -2.895
 RC180  Fr= 1--       0.685                  0.714                  0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02   0.03   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     4   1    -0.02  -0.14  -0.14    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00
     5   6    -0.02   0.00  -0.02    -0.01   0.00  -0.00     0.00  -0.00   0.00
     6   1     0.27  -0.01   0.21     0.07  -0.00   0.05    -0.00   0.00  -0.00
     7   6     0.03  -0.03  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.36   0.03    -0.06   0.07   0.01     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.01   0.03   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    18   6     0.00   0.01   0.00     0.01   0.03   0.02    -0.00  -0.00  -0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.02   0.02   0.00     0.03  -0.03  -0.00    -0.00   0.00   0.00
    22   6     0.03   0.01   0.01    -0.04  -0.01  -0.01     0.01   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.02   0.01   0.00
    25   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.02  -0.07  -0.03
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.19   0.21   0.01    -0.13   0.15   0.01     0.00  -0.00  -0.00
    32   1    -0.08  -0.31  -0.21    -0.04  -0.15  -0.10     0.00   0.00   0.00
    33   1     0.20   0.03   0.08     0.42   0.06   0.16    -0.01  -0.00  -0.00
    34   1    -0.03  -0.11  -0.06    -0.10  -0.41  -0.22     0.00   0.02   0.01
    35   1     0.21  -0.20  -0.04    -0.32   0.32   0.06     0.02  -0.02  -0.00
    36   1    -0.34  -0.08  -0.10     0.42   0.09   0.13    -0.07  -0.01  -0.02
    37   1     0.15  -0.13  -0.04    -0.09   0.08   0.02     0.18  -0.15  -0.05
    38   1     0.05   0.20   0.07    -0.04  -0.17  -0.06     0.01   0.06   0.02
    39   1    -0.02  -0.08  -0.03     0.02   0.10   0.04     0.19   0.86   0.31
    40   1     0.02   0.01  -0.00    -0.02  -0.01   0.00    -0.20  -0.07   0.00
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    42   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --   3178.9079              3184.1448              3184.8285
 Red. masses --      1.0897                 1.0960                 1.0958
 Frc consts  --      6.4881                 6.5472                 6.5484
 IR Inten    --      6.8123                 8.9981                 4.7436
 RamAct Fr= 1--    109.8046                85.6300               358.0391
  Dep-P Fr= 1--      0.7406                 0.7275                 0.5017
  Dep-U Fr= 1--      0.8510                 0.8423                 0.6681
 Alpha2 Fr= 1--      0.0175                 0.0330                 1.7544
 Beta2  Fr= 1--     15.5740                12.0205                39.8704
 AlphaG Fr= 1--      0.2863                 0.0670                 1.2926
 Gamma2 Fr= 1--    -19.7464               -53.2126                40.6003
 Delta2 Fr= 1--      9.7654               -41.1955               -26.3828
 Raman1 Fr= 1--     439.219                342.520               1432.156
 ROA1   Fr= 1--   -1583.165              -6426.664               3053.377
 CID1   Fr= 1--      -3.605                -18.763                  2.132
 Raman2 Fr= 1--     186.888                144.247                478.444
 ROA2   Fr= 1--    -552.038               -947.539               1185.470
 CID2   Fr= 1--      -2.954                 -6.569                  2.478
 Raman3 Fr= 1--     373.776                288.493                956.889
 ROA3   Fr= 1--   -1583.165              -6426.664               3053.377
 CID3   Fr= 1--      -4.236                -22.277                  3.191
 RC180  Fr= 1--       0.702                  0.685                  0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09  -0.10  -0.02     0.01  -0.01  -0.00    -0.01   0.01   0.00
     2   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.05  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   1     0.07   0.54   0.56     0.01   0.05   0.05    -0.01  -0.04  -0.04
     5   6     0.02   0.00   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   1    -0.25   0.00  -0.20     0.02  -0.00   0.01    -0.02   0.00  -0.02
     7   6     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.37   0.03    -0.05   0.06   0.00     0.04  -0.04  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.03  -0.03  -0.00    -0.03   0.03  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.01   0.01    -0.01  -0.03  -0.02     0.01   0.03   0.02
    15   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.03   0.00   0.01    -0.01  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.01    -0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.02   0.02   0.00    -0.02   0.02   0.00
    22   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.03  -0.01  -0.01
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    25   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03  -0.04  -0.00    -0.33   0.37   0.01     0.29  -0.33  -0.01
    32   1    -0.03  -0.10  -0.07     0.09   0.31   0.21    -0.08  -0.30  -0.20
    33   1     0.03   0.00   0.01    -0.34  -0.05  -0.13     0.12   0.02   0.05
    34   1     0.00   0.00   0.00    -0.07  -0.31  -0.16     0.01   0.04   0.02
    35   1    -0.01   0.01   0.00     0.22  -0.23  -0.04     0.18  -0.18  -0.03
    36   1    -0.00  -0.00  -0.00     0.26   0.06   0.08     0.29   0.07   0.09
    37   1     0.00  -0.00  -0.00    -0.17   0.14   0.04    -0.33   0.27   0.08
    38   1    -0.00  -0.00  -0.00     0.07   0.28   0.10     0.12   0.49   0.17
    39   1     0.00   0.00   0.00     0.01   0.05   0.02     0.02   0.08   0.03
    40   1    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.03  -0.01   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3186.2391              3187.6641              3193.9840
 Red. masses --      1.0955                 1.0952                 1.0954
 Frc consts  --      6.5527                 6.5569                 6.5842
 IR Inten    --     55.2162                34.3874                20.1074
 RamAct Fr= 1--     97.9258               752.7428               304.5903
  Dep-P Fr= 1--      0.7500                 0.1117                 0.1603
  Dep-U Fr= 1--      0.8571                 0.2010                 0.2762
 Alpha2 Fr= 1--      0.0000                12.8055                 4.5873
 Beta2  Fr= 1--     13.9893                25.2134                14.0231
 AlphaG Fr= 1--     -0.0010                12.3312                -5.5488
 Gamma2 Fr= 1--     62.1880               -20.4345               -10.7252
 Delta2 Fr= 1--     -8.4505               106.4804               -17.7486
 Raman1 Fr= 1--     391.703               3010.971               1218.361
 ROA1   Fr= 1--    5699.636               1445.662              -1597.573
 CID1   Fr= 1--      14.551                  0.480                 -1.311
 Raman2 Fr= 1--     167.872                302.561                168.277
 ROA2   Fr= 1--    1560.117              -1342.271               -115.416
 CID2   Fr= 1--       9.294                 -4.436                 -0.686
 Raman3 Fr= 1--     335.743                605.122                336.555
 ROA3   Fr= 1--    5699.636               1445.662              -1597.573
 CID3   Fr= 1--      16.976                  2.389                 -4.747
 RC180  Fr= 1--       0.714                 -0.598                 -0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.10  -0.11  -0.02
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03
     4   1     0.00   0.03   0.03     0.00   0.02   0.02     0.04   0.34   0.35
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.00  -0.04
     6   1     0.02  -0.00   0.01     0.02  -0.00   0.02     0.62  -0.01   0.48
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     8   1    -0.02   0.03   0.00    -0.01   0.01   0.00     0.21  -0.25  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.03  -0.00  -0.01    -0.04  -0.00  -0.01     0.00   0.00   0.00
    18   6    -0.01  -0.04  -0.02    -0.01  -0.03  -0.02     0.00   0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.02  -0.02  -0.00    -0.03   0.03   0.01     0.00  -0.00  -0.00
    22   6     0.02   0.01   0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    23   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   6     0.03  -0.02  -0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.01  -0.03  -0.01     0.01   0.02   0.01    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.21   0.23   0.01    -0.10   0.11   0.00     0.04  -0.04  -0.00
    32   1     0.07   0.26   0.17     0.04   0.14   0.10    -0.01  -0.02  -0.02
    33   1     0.34   0.05   0.13     0.41   0.06   0.16    -0.01  -0.00  -0.00
    34   1     0.09   0.39   0.20     0.09   0.37   0.19    -0.00  -0.01  -0.00
    35   1    -0.25   0.25   0.05     0.34  -0.34  -0.06    -0.00   0.00   0.00
    36   1    -0.23  -0.05  -0.07     0.44   0.10   0.13    -0.01  -0.00  -0.00
    37   1    -0.27   0.23   0.07     0.18  -0.15  -0.05    -0.00   0.00   0.00
    38   1     0.08   0.34   0.12    -0.05  -0.19  -0.07     0.00   0.00   0.00
    39   1     0.01   0.05   0.02    -0.01  -0.03  -0.01     0.00   0.00   0.00
    40   1    -0.02  -0.01   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3208.9818              3223.4960              3242.0132
 Red. masses --      1.0937                 1.0915                 1.0902
 Frc consts  --      6.6355                 6.6821                 6.7511
 IR Inten    --      3.0703                 3.3139                 0.7994
 RamAct Fr= 1--    173.7706                33.3162                16.9450
  Dep-P Fr= 1--      0.2436                 0.0922                 0.1845
  Dep-U Fr= 1--      0.3917                 0.1689                 0.3115
 Alpha2 Fr= 1--      2.0969                 0.5945                 0.2397
 Beta2  Fr= 1--     11.3444                 0.9376                 0.8798
 AlphaG Fr= 1--     -0.6097                 0.7407                 1.2430
 Gamma2 Fr= 1--     -3.2178                -7.5435                 0.9277
 Delta2 Fr= 1--     -4.6676                 2.4428                 3.0322
 Raman1 Fr= 1--     695.082                133.265                 67.780
 ROA1   Fr= 1--    -458.268               -646.007                186.094
 CID1   Fr= 1--      -0.659                 -4.848                  2.746
 Raman2 Fr= 1--     136.133                 11.251                 10.558
 ROA2   Fr= 1--     -39.886               -200.586                 -1.992
 CID2   Fr= 1--      -0.293                -17.828                 -0.189
 Raman3 Fr= 1--     272.265                 22.503                 21.116
 ROA3   Fr= 1--    -458.268               -646.007                186.094
 CID3   Fr= 1--      -1.683                -28.708                  8.813
 RC180  Fr= 1--      -0.217                 -0.662                 -0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.00  -0.00    -0.66   0.71   0.09    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.06  -0.06  -0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
     4   1     0.00   0.00   0.00     0.02   0.14   0.15     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00  -0.00   0.00     0.04  -0.00   0.03    -0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.08  -0.03   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.08  -0.03
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    38   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    39   1     0.04   0.20   0.07    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    40   1     0.92   0.32  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.20   0.90   0.38

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  1 and mass   1.00783
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number 35 and mass  78.91834
 Atom    42 has atomic number  1 and mass   1.00783
 Molecular mass:   406.03571 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  8249.80459********************
           X            0.99894  -0.02304   0.03991
           Y            0.02242   0.99962   0.01579
           Z           -0.04026  -0.01488   0.99908
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01050     0.00804     0.00584
 Rotational constants (GHZ):           0.21876     0.16762     0.12163
 Zero-point vibrational energy     850985.4 (Joules/Mol)
                                  203.39040 (Kcal/Mol)
 Warning -- explicit consideration of  31 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.91    71.26    79.14   122.66   135.64
          (Kelvin)            152.30   191.26   246.95   278.32   330.20
                              376.11   392.30   401.04   417.21   461.66
                              485.64   549.15   598.09   617.63   630.12
                              638.40   642.14   696.80   712.37   751.42
                              759.38   776.60   783.75   827.73   846.15
                              880.71   903.42   923.39   937.14   982.89
                              997.38  1018.11  1031.04  1087.76  1093.57
                             1100.54  1118.49  1126.88  1144.46  1172.96
                             1193.66  1207.06  1223.29  1230.64  1232.28
                             1245.93  1277.66  1336.29  1345.75  1350.73
                             1367.93  1371.09  1376.53  1383.23  1390.98
                             1394.33  1427.86  1461.96  1529.53  1546.24
                             1590.59  1617.85  1650.75  1684.13  1686.25
                             1700.37  1702.28  1709.63  1742.00  1754.63
                             1771.15  1784.08  1794.78  1801.34  1847.55
                             1872.60  1901.76  1960.45  1963.22  1983.05
                             1996.15  2003.39  2017.96  2052.18  2058.29
                             2096.83  2105.42  2124.33  2173.41  2180.53
                             2211.87  2229.66  2240.46  2284.78  2323.74
                             2354.80  2364.42  2377.46  2389.41  2393.34
                             4554.53  4555.60  4557.59  4558.70  4560.67
                             4565.26  4573.74  4581.27  4582.26  4584.29
                             4586.34  4595.43  4617.01  4637.89  4664.53
 
 Zero-point correction=                           0.324123 (Hartree/Particle)
 Thermal correction to Energy=                    0.342981
 Thermal correction to Enthalpy=                  0.343925
 Thermal correction to Gibbs Free Energy=         0.276791
 Sum of electronic and zero-point Energies=          -3574.171456
 Sum of electronic and thermal Energies=             -3574.152598
 Sum of electronic and thermal Enthalpies=           -3574.151654
 Sum of electronic and thermal Free Energies=        -3574.218788
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  215.224             79.570            141.295
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.895
 Rotational               0.889              2.981             35.531
 Vibrational            213.446             73.609             61.869
 Vibration     1          0.594              1.983              5.751
 Vibration     2          0.595              1.978              4.836
 Vibration     3          0.596              1.976              4.629
 Vibration     4          0.601              1.959              3.766
 Vibration     5          0.603              1.953              3.569
 Vibration     6          0.605              1.945              3.344
 Vibration     7          0.613              1.920              2.903
 Vibration     8          0.626              1.877              2.417
 Vibration     9          0.635              1.849              2.195
 Vibration    10          0.652              1.796              1.883
 Vibration    11          0.669              1.743              1.652
 Vibration    12          0.676              1.724              1.579
 Vibration    13          0.679              1.713              1.541
 Vibration    14          0.686              1.692              1.474
 Vibration    15          0.706              1.634              1.306
 Vibration    16          0.718              1.601              1.224
 Vibration    17          0.751              1.509              1.033
 Vibration    18          0.779              1.436              0.907
 Vibration    19          0.791              1.407              0.861
 Vibration    20          0.798              1.387              0.833
 Vibration    21          0.803              1.375              0.815
 Vibration    22          0.806              1.369              0.807
 Vibration    23          0.840              1.285              0.699
 Vibration    24          0.851              1.261              0.670
 Vibration    25          0.877              1.201              0.605
 Vibration    26          0.883              1.188              0.592
 Vibration    27          0.895              1.162              0.566
 Vibration    28          0.900              1.151              0.555
 Vibration    29          0.932              1.085              0.494
 Vibration    30          0.945              1.057              0.471
 Vibration    31          0.971              1.006              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.484223-127       -127.314955       -293.153517
 Total V=0       0.590543D+22         21.771252         50.130160
 Vib (Bot)       0.115866-142       -142.936043       -329.122402
 Vib (Bot)    1  0.663183D+01          0.821633          1.891881
 Vib (Bot)    2  0.417377D+01          0.620528          1.428819
 Vib (Bot)    3  0.375639D+01          0.574771          1.323459
 Vib (Bot)    4  0.241366D+01          0.382677          0.881146
 Vib (Bot)    5  0.217931D+01          0.338319          0.779008
 Vib (Bot)    6  0.193649D+01          0.287015          0.660876
 Vib (Bot)    7  0.153246D+01          0.185388          0.426872
 Vib (Bot)    8  0.117349D+01          0.069480          0.159985
 Vib (Bot)    9  0.103331D+01          0.014232          0.032770
 Vib (Bot)   10  0.858392D+00         -0.066314         -0.152694
 Vib (Bot)   11  0.742507D+00         -0.129299         -0.297722
 Vib (Bot)   12  0.707823D+00         -0.150075         -0.345561
 Vib (Bot)   13  0.690209D+00         -0.161019         -0.370760
 Vib (Bot)   14  0.659493D+00         -0.180790         -0.416283
 Vib (Bot)   15  0.585542D+00         -0.232442         -0.535217
 Vib (Bot)   16  0.550973D+00         -0.258870         -0.596070
 Vib (Bot)   17  0.473159D+00         -0.324993         -0.748324
 Vib (Bot)   18  0.423786D+00         -0.372854         -0.858527
 Vib (Bot)   19  0.406123D+00         -0.391342         -0.901099
 Vib (Bot)   20  0.395366D+00         -0.403000         -0.927942
 Vib (Bot)   21  0.388450D+00         -0.410665         -0.945592
 Vib (Bot)   22  0.385378D+00         -0.414113         -0.953530
 Vib (Bot)   23  0.344058D+00         -0.463369         -1.066945
 Vib (Bot)   24  0.333380D+00         -0.477060         -1.098472
 Vib (Bot)   25  0.308424D+00         -0.510852         -1.176281
 Vib (Bot)   26  0.303637D+00         -0.517646         -1.191924
 Vib (Bot)   27  0.293590D+00         -0.532258         -1.225570
 Vib (Bot)   28  0.289545D+00         -0.538284         -1.239445
 Vib (Bot)   29  0.266117D+00         -0.574927         -1.323818
 Vib (Bot)   30  0.256999D+00         -0.590069         -1.358684
 Vib (Bot)   31  0.240889D+00         -0.618183         -1.423419
 Vib (V=0)       0.141307D+07          6.150163         14.161275
 Vib (V=0)    1  0.715065D+01          0.854346          1.967203
 Vib (V=0)    2  0.470361D+01          0.672431          1.548330
 Vib (V=0)    3  0.428952D+01          0.632409          1.456175
 Vib (V=0)    4  0.296491D+01          0.472011          1.086846
 Vib (V=0)    5  0.273593D+01          0.437105          1.006472
 Vib (V=0)    6  0.250000D+01          0.397939          0.916289
 Vib (V=0)    7  0.211196D+01          0.324686          0.747618
 Vib (V=0)    8  0.177557D+01          0.249338          0.574123
 Vib (V=0)    9  0.164793D+01          0.216938          0.499518
 Vib (V=0)   10  0.149340D+01          0.174175          0.401053
 Vib (V=0)   11  0.139516D+01          0.144625          0.333011
 Vib (V=0)   12  0.136661D+01          0.135645          0.312334
 Vib (V=0)   13  0.135228D+01          0.131068          0.301795
 Vib (V=0)   14  0.132761D+01          0.123069          0.283377
 Vib (V=0)   15  0.126997D+01          0.103795          0.238996
 Vib (V=0)   16  0.124402D+01          0.094829          0.218351
 Vib (V=0)   17  0.118839D+01          0.074959          0.172599
 Vib (V=0)   18  0.115543D+01          0.062745          0.144476
 Vib (V=0)   19  0.114416D+01          0.058485          0.134667
 Vib (V=0)   20  0.113743D+01          0.055924          0.128770
 Vib (V=0)   21  0.113316D+01          0.054292          0.125011
 Vib (V=0)   22  0.113128D+01          0.053571          0.123351
 Vib (V=0)   23  0.110694D+01          0.044124          0.101599
 Vib (V=0)   24  0.110095D+01          0.041768          0.096175
 Vib (V=0)   25  0.108747D+01          0.036419          0.083857
 Vib (V=0)   26  0.108497D+01          0.035420          0.081556
 Vib (V=0)   27  0.107982D+01          0.033353          0.076798
 Vib (V=0)   28  0.107779D+01          0.032532          0.074909
 Vib (V=0)   29  0.106641D+01          0.027924          0.064296
 Vib (V=0)   30  0.106218D+01          0.026199          0.060325
 Vib (V=0)   31  0.105500D+01          0.023253          0.053543
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.321588D+09          8.507300         19.588783
 Rotational      0.129953D+08          7.113788         16.380102
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.000000727    0.000004053    0.000006644
      2        6           0.000003065   -0.000008672   -0.000011693
      3        6           0.000005941    0.000006058    0.000003857
      4        1           0.000003250   -0.000000312   -0.000001210
      5        6          -0.000001420    0.000009196    0.000008936
      6        1          -0.000001643   -0.000001817   -0.000002251
      7        6          -0.000003939    0.000008091   -0.000004810
      8        1           0.000002058    0.000003161    0.000000564
      9        6          -0.000015950   -0.000009385   -0.000001549
     10        6           0.000005293    0.000009405    0.000000391
     11        6           0.000009584   -0.000040956   -0.000007620
     12        6          -0.000016518    0.000008065    0.000010697
     13        6           0.000006271   -0.000004800    0.000006807
     14        6          -0.000007262   -0.000001457   -0.000010258
     15        6           0.000018885    0.000010771   -0.000000638
     16        6          -0.000013956    0.000003841    0.000000905
     17        6           0.000003065    0.000001092   -0.000006770
     18        6           0.000003315   -0.000006214    0.000010773
     19        6           0.000011601   -0.000001173   -0.000010189
     20        6          -0.000004594    0.000003861   -0.000004920
     21        6          -0.000010091   -0.000010591   -0.000000566
     22        6           0.000007979    0.000001826    0.000003474
     23        6           0.000005067    0.000001723   -0.000003205
     24        6          -0.000007370   -0.000004068    0.000003561
     25        6           0.000001717   -0.000001736    0.000001556
     26        6          -0.000010810   -0.000002813   -0.000003404
     27        6           0.000000015   -0.000004054   -0.000010698
     28        6          -0.000000874    0.000010449    0.000010827
     29        6           0.000003989   -0.000008066    0.000003091
     30        6           0.000000766    0.000004473    0.000020881
     31        1          -0.000002690   -0.000000595   -0.000000621
     32        1          -0.000002149   -0.000000099    0.000001827
     33        1          -0.000001215   -0.000001056   -0.000000142
     34        1          -0.000001101   -0.000000943   -0.000000714
     35        1           0.000000024   -0.000000617    0.000000755
     36        1           0.000000671    0.000001377   -0.000000171
     37        1           0.000002346   -0.000000317    0.000000985
     38        1           0.000002311   -0.000002531    0.000000409
     39        1           0.000000778   -0.000001359   -0.000000012
     40        1           0.000001457   -0.000001965    0.000000314
     41       35          -0.000008002   -0.000010758   -0.000003298
     42        1           0.000009405    0.000038910   -0.000012513
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040956 RMS     0.000008145
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.445656D+03 -0.186549D+02  0.452361D+02
      2  -0.186549D+02  0.409984D+03  0.442691D+02
      3   0.452361D+02  0.442691D+02  0.245099D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.191923D+03 -0.277149D+02  0.140158D+03
      2  -0.114403D+03 -0.697962D+02 -0.559118D+02
      3   0.131794D+03  0.609308D+03 -0.216097D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.667736D+03  0.404802D+02 -0.312282D+03
      2   0.230984D+03  0.133295D+02 -0.209685D+02
      3   0.436752D+03 -0.538097D+02  0.333250D+03
      4   0.108568D+03 -0.368481D+03 -0.318881D+03
      5  -0.123005D+03 -0.187796D+03  0.489067D+02
      6  -0.299259D+03  0.103364D+03 -0.173806D+03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.126968D+01  0.158737D+01 -0.882934D-01  0.692713D+00 -0.107912D+01
      2   0.158737D+01 -0.214719D+01  0.429327D+00 -0.107912D+01  0.206253D+01
      3  -0.882934D-01  0.429327D+00 -0.925736D+00 -0.467022D+00  0.201813D+00
                 6             7             8             9            10 
      1  -0.467022D+00 -0.147803D+00 -0.660394D-01 -0.575988D+00 -0.417934D+01
      2   0.201813D+00 -0.660394D-01  0.276442D-01  0.830444D+00 -0.180476D+00
      3   0.109256D+01 -0.575988D+00  0.830444D+00  0.273264D+00 -0.219544D+01
                11            12            13            14            15 
      1  -0.180476D+00 -0.219544D+01 -0.195947D+01 -0.570310D+00 -0.135334D+01
      2  -0.705390D+00 -0.179060D+01 -0.570310D+00  0.254882D+01 -0.212169D+01
      3  -0.179060D+01 -0.745207D+01 -0.135334D+01 -0.212169D+01 -0.162862D+01
                16            17            18            19            20 
      1  -0.302061D+01 -0.365837D+00 -0.529982D+01  0.514679D+01 -0.535095D+00
      2  -0.365837D+00 -0.405849D+01  0.515350D+00 -0.535095D+00  0.323239D+01
      3  -0.529982D+01  0.515350D+00 -0.698917D+01  0.277760D+01  0.194641D+00
                21            22            23            24            25 
      1   0.277760D+01  0.247523D+01  0.187056D+01  0.181722D+01  0.340824D+01
      2   0.194641D+00  0.187056D+01  0.865903D+00  0.135630D-01 -0.118571D+01
      3   0.289333D+00  0.181722D+01  0.135630D-01  0.139706D+00  0.364172D+01
                26            27            28            29            30 
      1  -0.118571D+01  0.364172D+01  0.793808D+00  0.317379D+00  0.143733D+01
      2   0.535325D+00 -0.150502D+01  0.317379D+00  0.324925D-01  0.114675D+00
      3  -0.150502D+01  0.103389D+02  0.143733D+01  0.114675D+00  0.177390D+01
                31            32            33            34            35 
      1   0.258703D+00  0.851526D+00  0.114326D+01  0.133273D+01  0.112972D+01
      2   0.851526D+00  0.224113D+01  0.319333D+01  0.112972D+01  0.213346D+01
      3   0.114326D+01  0.319333D+01  0.551172D+01  0.187546D+01  0.310583D+01
                36            37            38            39            40 
      1   0.187546D+01  0.435541D+01  0.130329D+01  0.124865D+01  0.733697D+01
      2   0.310583D+01  0.130329D+01  0.206874D+01  0.108234D+01 -0.119021D+01
      3   0.632640D+01  0.124865D+01  0.108234D+01  0.238417D+01  0.213529D+01
                41            42            43            44            45 
      1  -0.119021D+01  0.213529D+01  0.388311D+01 -0.318504D+01  0.468647D+01
      2   0.214422D+01 -0.269791D+00 -0.318504D+01  0.357834D+01 -0.283070D+01
      3  -0.269791D+00 -0.111394D+01  0.468647D+01 -0.283070D+01  0.916768D+01
                46            47            48            49            50 
      1   0.787108D+01 -0.137227D+01  0.601459D+01 -0.826744D+00  0.908818D+00
      2  -0.137227D+01  0.628981D+00 -0.126955D+01  0.908818D+00 -0.319482D+00
      3   0.601459D+01 -0.126955D+01  0.559299D+01  0.750152D-01  0.744002D+00
                51            52            53            54            55 
      1   0.750152D-01  0.557136D+01 -0.282639D+00  0.487504D+01 -0.856769D+00
      2   0.744002D+00 -0.282639D+00  0.384686D+00 -0.344171D+00  0.133416D+01
      3   0.892304D+00  0.487504D+01 -0.344171D+00  0.496946D+01 -0.340710D+01
                56            57            58            59            60 
      1   0.133416D+01 -0.340710D+01 -0.475002D+01  0.733165D+00 -0.501240D+01
      2  -0.134535D+01  0.169391D+01  0.733165D+00 -0.391691D+01  0.343459D+01
      3   0.169391D+01 -0.168013D+01 -0.501240D+01  0.343459D+01 -0.624545D+01
                61            62            63            64            65 
      1  -0.956830D+01  0.108367D+01 -0.512717D+01  0.521728D+01 -0.437139D+01
      2   0.108367D+01  0.765849D+00  0.103511D+00 -0.437139D+01  0.431309D+01
      3  -0.512717D+01  0.103511D+00 -0.547806D+01  0.105432D+01 -0.109778D+01
                66            67            68            69            70 
      1   0.105432D+01 -0.458933D+01  0.452282D+01 -0.423237D+00  0.422534D+00
      2  -0.109778D+01  0.452282D+01 -0.542719D+01  0.624846D+00  0.509802D-01
      3   0.684941D+00 -0.423237D+00  0.624846D+00 -0.470236D+00  0.528113D+00
                71            72            73            74            75 
      1   0.509802D-01  0.528113D+00  0.124015D+02 -0.309548D+01  0.109112D+02
      2  -0.718294D+00 -0.621432D+00 -0.309548D+01  0.155758D+01 -0.102616D+01
      3  -0.621432D+00  0.721667D-01  0.109112D+02 -0.102616D+01  0.101313D+02
                76            77            78            79            80 
      1  -0.167513D+02  0.282113D+01 -0.176224D+02 -0.196361D+01 -0.696321D-01
      2   0.282113D+01 -0.705034D+01 -0.998322D+00 -0.696321D-01 -0.885223D+00
      3  -0.176224D+02 -0.998322D+00 -0.203667D+02 -0.215502D+01 -0.267551D+01
                81            82            83            84            85 
      1  -0.215502D+01  0.170896D+02 -0.899031D+01  0.883683D+01  0.767275D+01
      2  -0.267551D+01 -0.899031D+01  0.154309D+02 -0.718329D+00 -0.173869D+01
      3  -0.500598D+01  0.883683D+01 -0.718329D+00  0.116449D+02  0.572124D+01
                86            87            88            89            90 
      1  -0.173869D+01  0.572124D+01  0.105276D+02 -0.551943D+01  0.123705D+02
      2  -0.623429D+00  0.251613D+01 -0.551943D+01  0.146267D+02 -0.380779D+01
      3   0.251613D+01  0.643408D+01  0.123705D+02 -0.380779D+01  0.134784D+02
                91            92            93            94            95 
      1  -0.220374D+02  0.450821D+01 -0.180947D+02  0.980881D+01  0.245610D+00
      2   0.450821D+01 -0.534170D+01  0.109780D+01  0.245610D+00  0.429305D+01
      3  -0.180947D+02  0.109780D+01 -0.177554D+02  0.121922D+02  0.144816D+01
                96            97            98            99           100 
      1   0.121922D+02 -0.447979D+01  0.302638D+01 -0.345561D+01  0.110641D+02
      2   0.144816D+01  0.302638D+01 -0.119820D+01  0.300474D+01  0.220853D+01
      3   0.144242D+02 -0.345561D+01  0.300474D+01 -0.265303D+01  0.955928D+01
               101           102           103           104           105 
      1   0.220853D+01  0.955928D+01  0.256504D+02 -0.214141D+02  0.145792D+02
      2  -0.450679D+01 -0.159544D+00 -0.214141D+02  0.378900D+02 -0.838190D+01
      3  -0.159544D+00  0.858261D+01  0.145792D+02 -0.838190D+01  0.935879D+01
               106           107           108           109           110 
      1   0.186965D+02 -0.966009D+01  0.132544D+02 -0.764521D+01 -0.471785D+01
      2  -0.966009D+01  0.151625D+02 -0.342940D+01 -0.471785D+01  0.717912D+01
      3   0.132544D+02 -0.342940D+01  0.113634D+02 -0.804536D+01  0.785486D+00
               111           112           113           114           115 
      1  -0.804536D+01 -0.284758D+02  0.249993D+02 -0.171720D+02 -0.153416D+02
      2   0.785486D+00  0.249993D+02 -0.433335D+02  0.106410D+02  0.873252D+01
      3  -0.523620D+01 -0.171720D+02  0.106410D+02 -0.109055D+02 -0.113995D+02
               116           117           118           119           120 
      1   0.873252D+01 -0.113995D+02 -0.215431D+02  0.174527D+02 -0.111078D+02
      2  -0.123825D+02  0.253259D+01  0.174527D+02 -0.294328D+02  0.741994D+01
      3   0.253259D+01 -0.973128D+01 -0.111078D+02  0.741994D+01 -0.866392D+01
               121           122           123           124           125 
      1   0.620462D+01 -0.118749D+02  0.389308D+01 -0.914267D+01  0.844642D+01
      2  -0.118749D+02  0.136398D+02 -0.394040D+01  0.844642D+01 -0.101653D+02
      3   0.389308D+01 -0.394040D+01  0.297456D+01 -0.620745D+01  0.165748D+01
               126           127           128           129           130 
      1  -0.620745D+01  0.192723D+02 -0.995721D+01  0.630739D+01  0.121547D+00
      2   0.165748D+01 -0.995721D+01  0.633915D+02 -0.467226D+01  0.145669D+02
      3  -0.112003D+02  0.630739D+01 -0.467226D+01  0.212233D+01 -0.667278D+00
               131           132           133           134           135 
      1   0.145669D+02 -0.667278D+00  0.580383D+01  0.108247D+01  0.160986D+01
      2   0.174479D+02  0.442358D+01  0.108247D+01  0.233506D+02 -0.118986D+00
      3   0.442358D+01 -0.361461D-01  0.160986D+01 -0.118986D+00  0.519326D+00
               136           137           138           139           140 
      1  -0.194161D+02  0.715694D+01 -0.564638D+01 -0.675408D+00 -0.819069D+01
      2   0.715694D+01 -0.630907D+02  0.533951D+01 -0.819069D+01 -0.140708D+02
      3  -0.564638D+01  0.533951D+01 -0.113392D+01 -0.930460D+00 -0.199927D+01
               141           142           143           144           145 
      1  -0.930460D+00 -0.458406D+01  0.154416D+01 -0.430174D+01 -0.105156D+02
      2  -0.199927D+01  0.154416D+01 -0.220492D+02  0.111265D+01  0.321220D+00
      3  -0.625376D+00 -0.430174D+01  0.111265D+01 -0.209806D+01 -0.415172D+01
               146           147           148           149           150 
      1   0.321220D+00 -0.415172D+01  0.104328D+02  0.285349D+00  0.874680D+01
      2  -0.112177D+02  0.702398D-01  0.285349D+00  0.344297D+02 -0.150969D+01
      3   0.702398D-01 -0.492163D+01  0.874680D+01 -0.150969D+01  0.718103D+01
               151           152           153           154           155 
      1   0.274920D+01  0.210389D+01 -0.296392D+01  0.167986D+02 -0.400419D+01
      2   0.210389D+01  0.536518D+01  0.299129D+00 -0.400419D+01  0.134930D+02
      3  -0.296392D+01  0.299129D+00 -0.432825D+01  0.123225D+02 -0.191864D+01
               156           157           158           159           160 
      1   0.123225D+02 -0.122469D+02 -0.991243D+00 -0.537974D+01  0.437286D+01
      2  -0.191864D+01 -0.991243D+00 -0.196404D+02  0.262184D+01  0.844310D-01
      3   0.997032D+01 -0.537974D+01  0.262184D+01 -0.448910D+01  0.313556D+01
               161           162           163           164           165 
      1   0.844310D-01  0.313556D+01  0.354779D+02  0.183626D+02 -0.163766D+01
      2   0.243391D+01 -0.478347D+01  0.183626D+02  0.281513D+02  0.820228D-02
      3  -0.478347D+01 -0.669780D+00 -0.163766D+01  0.820228D-02  0.787304D+00
               166           167           168           169           170 
      1  -0.153795D+02 -0.147710D+02 -0.540620D+00 -0.418614D+01 -0.462422D+01
      2  -0.147710D+02 -0.474220D+02 -0.257116D+01 -0.462422D+01 -0.135843D+02
      3  -0.540620D+00 -0.257116D+01 -0.263214D+00  0.642068D+00 -0.135040D+01
               171           172           173           174           175 
      1   0.642068D+00 -0.315027D+02 -0.167471D+02  0.138957D+01  0.207962D+02
      2  -0.135040D+01 -0.167471D+02 -0.257180D+02  0.662286D+00  0.201734D+02
      3  -0.216255D+00  0.138957D+01  0.662286D+00  0.725648D+00 -0.158411D+00
               176           177           178           179           180 
      1   0.201734D+02 -0.158411D+00  0.403209D+01  0.433402D+01 -0.180294D+01
      2   0.564626D+02  0.205244D+01  0.433402D+01  0.121672D+02  0.230261D+01
      3   0.205244D+01  0.244820D+00 -0.180294D+01  0.230261D+01  0.987220D+00
               181           182           183           184           185 
      1   0.148227D+02  0.831727D+01  0.385261D-01  0.215972D+02  0.296267D+01
      2   0.831727D+01  0.985121D+01 -0.140804D+01  0.296267D+01  0.246319D+02
      3   0.385261D-01 -0.140804D+01 -0.110481D+01  0.268334D+01 -0.358234D+01
               186           187           188           189           190 
      1   0.268334D+01  0.930004D+01  0.153249D+01 -0.287837D+01 -0.387635D+01
      2  -0.358234D+01  0.153249D+01  0.561665D+01  0.316552D+01 -0.407765D+01
      3   0.235144D+01 -0.287837D+01  0.316552D+01  0.772118D+00  0.176889D+01
               191           192           193           194           195 
      1  -0.407765D+01  0.176889D+01 -0.218663D+02  0.293111D+01  0.282095D+00
      2   0.395054D+01 -0.121451D+01  0.293111D+01 -0.359949D+02  0.417608D+01
      3  -0.121451D+01 -0.139247D+01  0.282095D+00  0.417608D+01 -0.109920D+01
               196           197           198           199           200 
      1  -0.400400D+01  0.160503D+01 -0.458144D+01 -0.172139D+02 -0.125680D+02
      2   0.160503D+01 -0.647266D+01 -0.730368D+00 -0.125680D+02 -0.865960D+01
      3  -0.458144D+01 -0.730368D+00 -0.234175D+01 -0.766023D-02  0.916314D+00
               201           202           203           204           205 
      1  -0.766023D-02 -0.402605D+02 -0.698700D+01  0.880422D+01 -0.172447D+02
      2   0.916314D+00 -0.698700D+01 -0.100594D+02 -0.408160D+00 -0.187988D+01
      3  -0.113883D+00  0.880422D+01 -0.408160D+00 -0.205781D+01  0.290072D+01
               206           207           208           209           210 
      1  -0.187988D+01  0.290072D+01 -0.268005D+02 -0.137716D+02  0.374473D+01
      2  -0.309180D+01 -0.118206D+01 -0.137716D+02 -0.328971D+02 -0.188752D+01
      3  -0.118206D+01 -0.135612D+01  0.374473D+01 -0.188752D+01 -0.450186D+01
               211           212           213           214           215 
      1  -0.130554D+02 -0.154443D+02  0.220815D+01 -0.194237D+01 -0.226730D+01
      2  -0.154443D+02 -0.340796D+02 -0.213185D+01 -0.226730D+01 -0.905377D+01
      3   0.220815D+01 -0.213185D+01 -0.926992D+00 -0.458760D+01  0.980999D+00
               216           217           218           219           220 
      1  -0.458760D+01  0.413487D+02  0.122565D+02 -0.795202D+01 -0.639469D+01
      2   0.980999D+00  0.122565D+02  0.270907D+02  0.138456D+01  0.301719D+00
      3   0.224964D+01 -0.795202D+01  0.138456D+01  0.452346D+01  0.183216D+01
               221           222           223           224           225 
      1   0.301719D+00  0.183216D+01 -0.452689D+01 -0.353929D+00  0.320637D+01
      2   0.805492D+01 -0.166015D+01 -0.353929D+00 -0.130342D+01  0.497406D+01
      3  -0.166015D+01  0.496794D+00  0.320637D+01  0.497406D+01  0.197088D+01
               226           227           228           229           230 
      1  -0.884362D+01  0.369187D+01  0.442841D+01  0.451754D+02  0.956472D+01
      2   0.369187D+01  0.105716D+01 -0.350500D+00  0.956472D+01  0.124440D+02
      3   0.442841D+01 -0.350500D+00 -0.163820D+01 -0.985753D+01  0.437633D+00
               231           232           233           234           235 
      1  -0.985753D+01  0.162286D+02  0.287758D+01 -0.417825D+01 -0.559171D+01
      2   0.437633D+00  0.287758D+01  0.282096D+01  0.164416D+01 -0.568064D+01
      3   0.201354D+01 -0.417825D+01  0.164416D+01  0.225487D+01 -0.676077D+00
               236           237           238           239           240 
      1  -0.568064D+01 -0.676077D+00  0.396231D+01  0.240109D+01 -0.351653D+00
      2  -0.561150D+01  0.491435D+00  0.240109D+01  0.332948D+01 -0.219460D+01
      3   0.491435D+00  0.564652D-01 -0.351653D+00 -0.219460D+01  0.913414D+00
               241           242           243           244           245 
      1   0.430803D+01  0.216411D+01  0.144282D+01  0.121143D+02  0.308419D+01
      2   0.216411D+01 -0.704237D+00  0.249935D+01  0.308419D+01  0.697875D+01
      3   0.144282D+01  0.249935D+01  0.240453D+01 -0.153820D+01  0.550421D+00
               246           247           248           249           250 
      1  -0.153820D+01  0.459012D+01 -0.364610D+01 -0.518804D+01  0.579012D+00
      2   0.550421D+00 -0.364610D+01 -0.262221D+01 -0.556426D+00 -0.395041D+01
      3   0.312116D+01 -0.518804D+01 -0.556426D+00  0.123290D+01  0.246817D+01
               251           252           253           254           255 
      1  -0.395041D+01  0.246817D+01  0.193747D+02  0.247996D+01 -0.478350D+01
      2  -0.407649D+01  0.168036D+01  0.247996D+01  0.394752D+01  0.585500D+00
      3   0.168036D+01 -0.127052D+01 -0.478350D+01  0.585500D+00  0.128798D+01
               256           257           258           259           260 
      1  -0.471043D+01  0.163592D+01  0.137333D+01 -0.544012D+01 -0.896628D+00
      2   0.163592D+01  0.214619D+01  0.277158D+00 -0.896628D+00  0.964599D+00
      3   0.137333D+01  0.277158D+00  0.609411D+00  0.359434D+01  0.489199D+00
               261           262           263           264           265 
      1   0.359434D+01 -0.233814D+02  0.129605D+01  0.763140D+01 -0.142757D+01
      2   0.489199D+00  0.129605D+01 -0.285441D+01 -0.179868D+01 -0.725507D+00
      3  -0.171665D+01  0.763140D+01 -0.179868D+01 -0.328380D+01  0.136770D+01
               266           267           268           269           270 
      1  -0.725507D+00  0.136770D+01  0.269502D+01  0.985497D+00 -0.147408D+01
      2  -0.343940D+01  0.977917D+00  0.985497D+00  0.314047D+01 -0.203191D+01
      3   0.977917D+00 -0.112896D+01 -0.147408D+01 -0.203191D+01 -0.945781D+00
               271           272           273           274           275 
      1   0.338803D+01 -0.431504D+01  0.567519D-01 -0.292150D+01  0.445940D+01
      2  -0.431504D+01  0.630191D+01 -0.795185D-01  0.445940D+01 -0.860120D+01
      3   0.567519D-01 -0.795185D-01  0.796256D+00  0.856197D+00 -0.110754D+01
               276           277           278           279           280 
      1   0.856197D+00  0.876947D+00  0.124241D+00  0.759997D+00 -0.900482D+00
      2  -0.110754D+01  0.124241D+00 -0.145947D+01 -0.554295D+00 -0.621973D+00
      3  -0.286439D+00  0.759997D+00 -0.554295D+00 -0.907156D-01 -0.112897D+01
               281           282           283           284           285 
      1  -0.621973D+00 -0.112897D+01 -0.163674D+00 -0.119859D+01 -0.349314D+00
      2  -0.185398D+01 -0.703250D+00 -0.119859D+01 -0.996335D+01 -0.473477D+01
      3  -0.703250D+00 -0.139319D+01 -0.349314D+00 -0.473477D+01 -0.313586D+01
               286           287           288           289           290 
      1  -0.959035D+00 -0.125265D+01 -0.625564D+00 -0.119701D+02 -0.312892D+01
      2  -0.125265D+01 -0.521020D+01 -0.352814D+01 -0.312892D+01 -0.123635D+01
      3  -0.625564D+00 -0.352814D+01 -0.205763D+01 -0.490289D+01 -0.112042D+01
               291           292           293           294           295 
      1  -0.490289D+01 -0.158881D+01 -0.208965D+01 -0.110977D+01 -0.464922D+01
      2  -0.112042D+01 -0.208965D+01 -0.775664D-01 -0.826066D+00 -0.143234D+01
      3  -0.280627D+01 -0.110977D+01 -0.826066D+00 -0.952399D+00 -0.206992D+01
               296           297           298           299           300 
      1  -0.143234D+01 -0.206992D+01 -0.136251D+01 -0.234903D+01 -0.103087D+01
      2  -0.724103D+00 -0.110170D+01 -0.234903D+01 -0.157406D+01 -0.170784D+01
      3  -0.110170D+01 -0.115088D+01 -0.103087D+01 -0.170784D+01 -0.100464D+01
               301           302           303           304           305 
      1  -0.218302D+01 -0.350701D+01 -0.192954D+01 -0.109194D+01 -0.260201D+01
      2  -0.350701D+01 -0.965546D+01 -0.475361D+01 -0.260201D+01 -0.475033D+01
      3  -0.192954D+01 -0.475361D+01 -0.301922D+01 -0.133283D+01 -0.255199D+01
               306           307           308           309           310 
      1  -0.133283D+01 -0.882222D+01  0.582645D+01  0.374144D+00  0.635409D+01
      2  -0.255199D+01  0.582645D+01 -0.326129D+01 -0.562951D-01 -0.506983D+01
      3  -0.220843D+01  0.374144D+00 -0.562951D-01 -0.596553D+00 -0.622867D+00
               311           312           313           314           315 
      1  -0.506983D+01 -0.622867D+00  0.767972D+00 -0.774312D+00 -0.532538D+00
      2   0.565300D+01  0.680528D+00 -0.774312D+00  0.136183D+01 -0.720451D-01
      3   0.680528D+00  0.505269D+00 -0.532538D+00 -0.720451D-01  0.196398D+00
               316           317           318           319           320 
      1  -0.151040D+02 -0.762422D+00 -0.320442D+01 -0.214179D+01 -0.146641D+01
      2  -0.762422D+00 -0.172696D+00 -0.185646D+00 -0.146641D+01 -0.128853D+01
      3  -0.320442D+01 -0.185646D+00 -0.143178D+01 -0.929688D+00 -0.536764D+00
               321           322           323           324           325 
      1  -0.929688D+00 -0.425299D+01 -0.648641D+00 -0.110122D+01 -0.656839D+01
      2  -0.536764D+00 -0.648641D+00 -0.121781D+00  0.316661D+00  0.471632D+01
      3  -0.350797D+00 -0.110122D+01  0.316661D+00 -0.631103D+00  0.148920D+01
               326           327           328           329           330 
      1   0.471632D+01  0.148920D+01  0.340947D+01 -0.529773D+01 -0.152074D+01
      2  -0.544674D+01 -0.132235D+01 -0.529773D+01  0.631855D+01  0.161681D+01
      3  -0.132235D+01 -0.893534D+00 -0.152074D+01  0.161681D+01  0.107499D+01
               331           332           333           334           335 
      1   0.101872D+01 -0.194337D+01 -0.145846D+00  0.115086D+01  0.183387D+01
      2  -0.194337D+01  0.106086D+01  0.104997D+01  0.183387D+01  0.258441D+01
      3  -0.145846D+00  0.104997D+01  0.269565D+00  0.252933D+00  0.565556D+00
               336           337           338           339           340 
      1   0.252933D+00  0.467813D+00  0.371381D+00  0.226168D+00 -0.292523D+00
      2   0.565556D+00  0.371381D+00  0.134383D+02  0.382675D+01  0.442203D-01
      3   0.293409D+00  0.226168D+00  0.382675D+01  0.177030D+01 -0.242671D+00
               341           342           343           344           345 
      1   0.442203D-01 -0.242671D+00  0.129962D+01  0.199892D+01  0.469841D+00
      2   0.469737D+01  0.126146D+01  0.199892D+01  0.280205D+01  0.603554D+00
      3   0.126146D+01  0.930191D+00  0.469841D+00  0.603554D+00  0.394874D+00
               346           347           348           349           350 
      1   0.149233D+01  0.339091D+01  0.104492D+01  0.664484D+00  0.940540D+00
      2   0.339091D+01  0.111917D+02  0.301335D+01  0.940540D+00  0.377856D+01
      3   0.104492D+01  0.301335D+01  0.153377D+01  0.282805D+00  0.139481D+01
               351           352           353           354           355 
      1   0.282805D+00  0.101738D+02  0.469075D+01 -0.378122D+00  0.333037D+01
      2   0.139481D+01  0.469075D+01  0.293435D+01 -0.140827D+00  0.259517D+01
      3   0.789867D+00 -0.378122D+00 -0.140827D+00  0.753222D+00  0.373636D+00
               356           357           358           359           360 
      1   0.259517D+01  0.373636D+00  0.639237D-01  0.464484D+00  0.168428D+00
      2   0.232971D+01  0.147689D+00  0.464484D+00  0.510884D+00  0.246573D+00
      3   0.147689D+00  0.225834D+00  0.168428D+00  0.246573D+00  0.268864D+00
               361           362           363           364           365 
      1   0.116303D+02 -0.229810D+01 -0.248963D+01  0.145009D+01  0.571665D+01
      2  -0.229810D+01  0.198225D+01  0.157867D+00  0.571665D+01 -0.281249D+01
      3  -0.248963D+01  0.157867D+00  0.239875D+01 -0.416968D+00 -0.283437D+01
               366           367           368           369           370 
      1  -0.416968D+00 -0.495324D+00  0.703020D+00  0.572842D+01 -0.139035D+01
      2  -0.283437D+01  0.703020D+00 -0.141999D+01 -0.126183D+01 -0.119985D+01
      3  -0.690015D+00  0.572842D+01 -0.126183D+01 -0.680401D+01  0.352761D+00
               371           372           373           374           375 
      1  -0.119985D+01  0.352761D+00 -0.911742D+00 -0.105690D+01  0.647717D+00
      2  -0.188655D+01  0.474681D+00 -0.105690D+01 -0.316526D+01  0.496683D-01
      3   0.474681D+00 -0.385334D+00  0.647717D+00  0.496683D-01 -0.118950D+01
               376           377           378 
      1   0.308515D-01 -0.997684D-01 -0.131761D+00
      2  -0.997684D-01 -0.105391D+01 -0.686249D+00
      3  -0.131761D+00 -0.686249D+00 -0.659441D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.711900D+01 -0.118349D+02  0.226067D+01 -0.641987D+01  0.133091D+02
      2   0.652196D+01 -0.867309D+01  0.324238D+01 -0.436919D+01  0.767857D+01
      3  -0.289196D+01  0.539062D+00  0.824266D+00  0.547279D+01 -0.565962D+01
                 6             7             8             9            10 
      1  -0.207699D+01  0.990611D-01  0.261668D+01  0.353000D+01 -0.153772D+02
      2  -0.535236D+00  0.583925D+00 -0.782298D-01  0.247574D+01  0.959892D+01
      3   0.158017D+01 -0.159068D+01 -0.189017D+01 -0.252382D+01  0.240032D+02
                11            12            13            14            15 
      1   0.376640D+01 -0.309924D+02 -0.111778D+02  0.142180D+02 -0.166726D+02
      2   0.624091D+01 -0.300282D+01  0.313440D+01  0.671554D+01  0.200875D+01
      3  -0.109080D+02  0.316516D+02  0.195715D+02 -0.177794D+02  0.141611D+02
                16            17            18            19            20 
      1  -0.160607D+02 -0.547282D+01 -0.739485D+01  0.133090D+02  0.707201D+01
      2  -0.938842D+01  0.831845D+01  0.790005D+00 -0.157670D+01 -0.195132D+01
      3   0.231906D+02 -0.492356D+01  0.217940D+02 -0.227392D+02 -0.651340D+00
                21            22            23            24            25 
      1   0.157624D+02  0.128567D+02  0.111400D+02 -0.423221D+01  0.612419D+01
      2   0.363141D+01 -0.278133D+01 -0.783953D+01 -0.383549D+01 -0.711166D+01
      3  -0.253828D+02 -0.101479D+02 -0.246708D+02 -0.204722D-01 -0.195936D+02
                26            27            28            29            30 
      1  -0.163189D+01  0.223862D+02  0.263541D+01 -0.175307D+01  0.204544D+01
      2   0.610503D+01  0.521370D+01  0.260410D+00 -0.139555D+01 -0.490362D+00
      3   0.135030D+02 -0.308006D+02 -0.315599D+01  0.133998D+01 -0.390557D+01
                31            32            33            34            35 
      1   0.367892D+01  0.133619D+02  0.169020D+02  0.725292D+01  0.162753D+02
      2  -0.227318D+00  0.256460D+01  0.671377D+01 -0.367405D+01  0.112833D+01
      3  -0.111059D+01 -0.781088D+01 -0.133184D+02 -0.304985D+01 -0.970953D+01
                36            37            38            39            40 
      1   0.172823D+02  0.149080D+02  0.616816D+01  0.464526D+01  0.839793D+01
      2   0.263795D+01 -0.712571D+01 -0.282879D+01  0.124196D+01 -0.137078D+02
      3  -0.101450D+02 -0.257727D+02 -0.149299D+02 -0.904604D+01 -0.304303D+02
                41            42            43            44            45 
      1  -0.720085D+01  0.695490D+01  0.764701D+01  0.791519D+00  0.279016D+02
      2  -0.650488D+00 -0.337445D+00  0.228275D+00 -0.118233D+01  0.106432D+02
      3   0.911442D+01 -0.123535D+02 -0.195555D+02  0.223965D+02 -0.228379D+02
                46            47            48            49            50 
      1   0.855584D+01  0.808842D+00  0.785937D+01  0.230648D+01  0.800315D+00
      2  -0.977005D+01  0.509820D+00 -0.136951D+01  0.401756D+01 -0.129378D+01
      3  -0.156524D+02 -0.233882D+00 -0.116479D+02  0.719306D+00 -0.122980D+01
                51            52            53            54            55 
      1   0.416311D+01  0.108668D+02  0.238855D+01  0.100367D+02 -0.217123D+02
      2   0.319416D+01 -0.797503D+01  0.476966D+00 -0.267903D+01 -0.104828D+02
      3  -0.264217D+01 -0.161307D+02 -0.268137D+01 -0.134888D+02  0.145722D+02
                56            57            58            59            60 
      1   0.149524D+02 -0.156585D+02 -0.200757D+02  0.208737D+01 -0.220037D+02
      2   0.125887D+02  0.405269D+01  0.283504D+01  0.101742D+02 -0.212100D+01
      3  -0.248074D+02  0.180814D+02  0.286278D+02 -0.439649D+01  0.181133D+02
                61            62            63            64            65 
      1  -0.262766D+02  0.238033D+02 -0.269207D+02 -0.573367D+01  0.507340D+01
      2  -0.323375D+01  0.596586D+01 -0.160982D+02 -0.798802D+01  0.590595D+01
      3   0.556375D+02 -0.367350D+02  0.376874D+02 -0.853112D+01  0.205481D+01
                66            67            68            69            70 
      1   0.297238D+00  0.724533D+01 -0.884742D+01 -0.342309D+01  0.872534D+00
      2   0.522526D+00  0.914976D+01 -0.904510D+01 -0.214927D+01 -0.137646D+01
      3   0.268747D-01  0.834886D+01 -0.297165D+01  0.118377D+01 -0.102791D+01
                71            72            73            74            75 
      1  -0.299646D+01 -0.139843D+01  0.491281D+02 -0.221731D+02  0.486377D+02
      2  -0.777811D+00 -0.158074D+01  0.175987D+02 -0.584018D+01  0.154690D+02
      3   0.388318D+01  0.129611D+00 -0.841817D+02  0.457615D+02 -0.755994D+02
                76            77            78            79            80 
      1  -0.768855D+02 -0.325981D+02 -0.934871D+02 -0.221481D+01 -0.231408D+02
      2  -0.660015D+00 -0.213971D+02 -0.886261D+01 -0.425125D+01 -0.137816D+02
      3   0.125934D+03  0.426017D+01  0.144896D+03  0.165829D+02  0.318987D+02
                81            82            83            84            85 
      1  -0.152378D+02  0.412249D+02 -0.306644D+01  0.492824D+02  0.179878D+02
      2  -0.982187D+01  0.179676D+02  0.129418D+01  0.131331D+02  0.572468D+01
      3   0.307484D+02 -0.140463D+03  0.794525D+02 -0.776098D+02 -0.548405D+02
                86            87            88            89            90 
      1   0.251684D+02  0.233740D+02  0.599703D+02 -0.232797D+01  0.697537D+02
      2   0.152579D+02  0.669734D+01 -0.269808D+01  0.847227D+01  0.338488D+01
      3  -0.103132D+02 -0.532405D+02 -0.885926D+02  0.442339D+02 -0.109646D+03
                91            92            93            94            95 
      1  -0.475491D+02 -0.135359D+02 -0.530582D+02  0.358425D+02  0.455029D+01
      2   0.245812D+02 -0.164320D+02  0.170815D+02 -0.840901D+00  0.229001D+01
      3   0.912278D+02 -0.277739D+02  0.827452D+02 -0.593859D+02  0.228433D+01
                96            97            98            99           100 
      1   0.423413D+02  0.243294D+01 -0.957637D+01  0.282464D+01  0.156089D+02
      2  -0.424846D+01  0.524077D+01 -0.109839D+02 -0.222992D+01 -0.659479D+01
      3  -0.680232D+02  0.163642D+01  0.195802D+02  0.516897D+01 -0.324326D+02
               101           102           103           104           105 
      1   0.773623D+01  0.183703D+02  0.605968D+02 -0.363327D+02  0.315814D+02
      2   0.119883D+02 -0.196511D+01  0.892883D+01 -0.101061D+01  0.241778D+01
      3  -0.419177D+02 -0.385928D+02 -0.161925D+03  0.190932D+03 -0.738913D+02
               106           107           108           109           110 
      1   0.351870D+02 -0.695494D+00  0.261554D+02 -0.264685D+02 -0.156607D+02
      2  -0.171726D+02  0.148360D+01 -0.174874D+02  0.265258D+01 -0.169790D+02
      3  -0.831300D+02  0.110179D+03 -0.552371D+02  0.598292D+02  0.491355D+02
               111           112           113           114           115 
      1  -0.232443D+02 -0.908254D+02  0.624006D+02 -0.503889D+02 -0.486217D+02
      2  -0.666846D+01 -0.162402D+02  0.210178D+02 -0.507585D+01 -0.242378D+02
      3   0.533304D+02  0.230918D+03 -0.297139D+03  0.123152D+03  0.112466D+03
               116           117           118           119           120 
      1   0.290103D+02 -0.341128D+02 -0.587414D+02  0.413088D+02 -0.419399D+02
      2   0.119478D+02 -0.770952D+01 -0.114431D+02  0.104671D+02 -0.355113D+01
      3  -0.945539D+02  0.673474D+02  0.182586D+03 -0.188266D+03  0.982008D+02
               121           122           123           124           125 
      1   0.262381D+02 -0.295351D+02  0.135630D+02 -0.342056D+02  0.167897D+02
      2   0.107820D+02 -0.144144D+02  0.429975D+01 -0.171531D+02  0.106677D+02
      3  -0.560416D+02  0.118610D+03 -0.304953D+02  0.670863D+02 -0.760714D+02
               126           127           128           129           130 
      1  -0.494903D+02  0.402693D+02 -0.680251D+02  0.133031D+02 -0.621247D+01
      2  -0.947284D+01  0.910732D+01 -0.331254D+02  0.421686D+01 -0.100020D+02
      3   0.494094D+02 -0.608188D+02  0.332722D+03 -0.224861D+02  0.761776D+02
               131           132           133           134           135 
      1  -0.154118D+02 -0.576360D+00  0.501118D+01 -0.582222D+01 -0.499798D+01
      2  -0.168592D+02 -0.180572D+01 -0.190784D+02 -0.143197D+02 -0.694427D+01
      3   0.728942D+02  0.213218D+02  0.249396D+02  0.128612D+03  0.292296D+01
               136           137           138           139           140 
      1  -0.424261D+02  0.861178D+02 -0.156283D+02  0.615452D+01  0.161366D+02
      2  -0.928598D+01  0.631442D+02 -0.557794D+01  0.209072D+02  0.192504D+02
      3   0.649876D+02 -0.439464D+03  0.337925D+02 -0.596201D+02 -0.894217D+02
               141           142           143           144           145 
      1   0.864416D+00 -0.112339D+02  0.549294D+02 -0.515041D+00 -0.150392D+02
      2   0.627175D+01  0.342186D+00  0.276735D+02  0.133284D+01 -0.104175D+02
      3  -0.155435D+02 -0.581965D+01 -0.148505D+03  0.336938D+01  0.477498D+02
               146           147           148           149           150 
      1   0.580753D+01 -0.155766D+02  0.306877D+02 -0.633529D+02  0.241527D+02
      2   0.100689D+02  0.755133D+01 -0.752627D+01 -0.444073D+02 -0.759407D+01
      3  -0.699686D+02  0.180586D+02 -0.221189D+02  0.237832D+03 -0.276793D+02
               151           152           153           154           155 
      1  -0.121363D+02  0.973887D+01 -0.103044D+02  0.523081D+02 -0.204656D+02
      2   0.101659D+02 -0.755529D+01  0.833695D+01  0.190832D+02 -0.194740D+02
      3   0.265126D+00  0.420503D+02  0.129930D+02 -0.116265D+03  0.103343D+03
               156           157           158           159           160 
      1   0.378724D+02 -0.193901D+02  0.296292D+02 -0.204396D+02  0.987893D+01
      2   0.315927D+01 -0.294272D+01  0.838088D+01  0.408145D+01 -0.846188D+01
      3  -0.690618D+02  0.418863D+02 -0.119466D+03  0.313911D+02 -0.414034D+02
               161           162           163           164           165 
      1  -0.803132D+01  0.843936D+01 -0.113524D+02 -0.359168D+02  0.186465D+01
      2   0.256868D+02  0.952325D+01 -0.106144D+02 -0.115292D+02 -0.119969D+01
      3   0.144727D+02 -0.503737D+02  0.142334D+03  0.149471D+03 -0.989310D-01
               166           167           168           169           170 
      1  -0.992091D+00  0.340607D+02  0.187840D+01 -0.655497D+01  0.358553D+02
      2   0.177534D+02  0.245210D+02  0.176438D+01 -0.179853D+02  0.136998D+02
      3  -0.110181D+03 -0.219077D+03 -0.180739D+02 -0.931667D+01 -0.794983D+02
               171           172           173           174           175 
      1  -0.504488D+01  0.219048D+02  0.353907D+02  0.178528D+01 -0.236322D+01
      2   0.208514D+01  0.398965D+02  0.241607D+02 -0.272385D-01 -0.111614D+02
      3  -0.140180D+01 -0.217960D+03 -0.194337D+03 -0.135664D+01  0.152614D+03
               176           177           178           179           180 
      1  -0.622881D+02  0.384381D+01  0.107871D+02  0.307087D-01  0.143485D+01
      2  -0.496443D+02 -0.241413D+01 -0.107060D+02 -0.231788D+02 -0.619066D+01
      3   0.350439D+03  0.108165D+02  0.113595D+02  0.847392D+02  0.390934D+01
               181           182           183           184           185 
      1  -0.178760D+02 -0.206373D+02  0.205366D+00 -0.306887D+01 -0.362792D+02
      2  -0.250254D+02 -0.858889D+01  0.351270D+01 -0.172496D+02 -0.165136D+02
      3   0.122703D+03  0.901971D+02 -0.468917D+01  0.767630D+02  0.180146D+03
               186           187           188           189           190 
      1  -0.251884D+01  0.124480D+02 -0.316101D+01 -0.329972D+01  0.882586D+01
      2  -0.964846D+01 -0.230881D+01 -0.374211D+02 -0.106683D+02  0.325886D+01
      3  -0.135904D+02  0.286981D+02  0.496128D+02  0.176655D+02 -0.453029D+02
               191           192           193           194           195 
      1  -0.105358D+02  0.307490D+01 -0.210703D+02  0.446872D+02 -0.503941D+01
      2  -0.725623D+01  0.950653D+01 -0.117677D+02  0.369629D+02  0.231246D+01
      3   0.338303D+02 -0.800937D+01 -0.478971D+01 -0.266308D+03  0.273534D+02
               196           197           198           199           200 
      1   0.867412D+00  0.311333D+02  0.608756D+01  0.521084D+01  0.146020D+02
      2   0.175482D+02  0.202425D+02  0.117866D+02 -0.669364D+01 -0.529318D+01
      3  -0.662538D+01 -0.409079D+02 -0.146806D+02 -0.519762D+02 -0.365599D+02
               201           202           203           204           205 
      1   0.641130D+00 -0.246527D+00  0.112149D+02 -0.949969D+00 -0.186998D+01
      2  -0.911153D+00  0.138389D+02  0.637492D+00 -0.215704D+01 -0.674619D+01
      3  -0.188443D+01 -0.185291D+03 -0.459166D+02  0.411190D+02 -0.810150D+02
               206           207           208           209           210 
      1   0.201354D+02  0.314625D+01  0.518922D+01  0.336429D+02  0.132619D+02
      2  -0.784598D+00  0.339996D+01  0.227056D+02  0.285254D+02  0.630933D+01
      3  -0.424768D+02  0.150606D+02 -0.186161D+03 -0.200292D+03  0.120070D+02
               211           212           213           214           215 
      1  -0.562204D+01  0.337828D+02 -0.170416D+01  0.289771D+02  0.161276D+02
      2   0.114697D+02  0.382365D+02  0.108100D+01  0.692748D+00 -0.326915D+01
      3  -0.107941D+03 -0.228735D+03  0.211927D+01 -0.236385D+02 -0.492620D+02
               216           217           218           219           220 
      1  -0.486421D+01 -0.525391D+01 -0.326702D+02 -0.909262D+01  0.431318D+01
      2  -0.314600D+00 -0.338477D+02 -0.135001D+02  0.100580D+01  0.870082D+01
      3  -0.210267D+02  0.274485D+03  0.138133D+03 -0.425002D+02 -0.319708D+02
               221           222           223           224           225 
      1   0.623243D+01 -0.732077D+01 -0.130227D+02 -0.175601D+02 -0.982973D+01
      2  -0.641188D+01 -0.352977D+01 -0.188098D+02 -0.137319D+02 -0.701156D+01
      3   0.494806D+02  0.923186D+01 -0.313302D+02  0.731935D+01  0.384883D+02
               226           227           228           229           230 
      1   0.851211D+00  0.523868D+00 -0.131624D+01  0.702909D+01 -0.235157D+02
      2  -0.443005D+01 -0.154729D+02 -0.357041D+01 -0.298636D+02 -0.170869D+01
      3  -0.376770D+02  0.746806D+02  0.192820D+02  0.296818D+03  0.706415D+02
               231           232           233           234           235 
      1   0.268859D+01 -0.738063D+00  0.120101D+00 -0.370775D+01 -0.348829D+01
      2   0.751969D+01 -0.304359D+02 -0.495885D+01  0.597851D+01  0.103754D+02
      3  -0.667278D+02  0.974871D+02  0.188158D+02 -0.224941D+02 -0.592727D+02
               236           237           238           239           240 
      1   0.195493D+01  0.265557D+01  0.988240D+00  0.316955D+01 -0.556219D+01
      2   0.149395D+02 -0.220388D+01  0.161268D+01 -0.366395D+01  0.194203D+01
      3  -0.738137D+02  0.659365D+01  0.278111D+02  0.341455D+01 -0.114791D+01
               241           242           243           244           245 
      1  -0.776256D+01 -0.825830D+01 -0.907472D+01 -0.800604D+00 -0.501060D+01
      2  -0.177899D+02  0.354964D+01  0.102621D+02 -0.411084D+01 -0.431660D+01
      3   0.276184D+02  0.255208D+02 -0.134167D+01  0.623221D+02  0.237114D+02
               246           247           248           249           250 
      1  -0.962528D+01  0.140842D+02  0.172514D+01 -0.137579D+01 -0.133324D+02
      2   0.870940D+01 -0.779019D+00 -0.145398D+01 -0.295714D+01  0.519241D+01
      3  -0.684000D+01  0.454456D+01 -0.176165D+02 -0.991840D+01 -0.319502D+01
               251           252           253           254           255 
      1   0.646751D+01  0.863125D+01  0.716175D+01  0.917157D+00 -0.388893D+01
      2   0.726153D+01 -0.518635D+01 -0.214075D+02 -0.133314D+01 -0.649741D+00
      3  -0.208122D+02  0.178077D+02  0.125363D+03  0.221007D+02 -0.437848D+02
               256           257           258           259           260 
      1   0.483981D+01 -0.118552D+02 -0.431332D+01 -0.103283D+02  0.801600D+01
      2  -0.230515D+01  0.416065D+01  0.680738D+01 -0.129614D+02 -0.281879D+01
      3   0.419299D+01  0.539904D+01 -0.138640D+02 -0.209355D+02 -0.161279D+02
               261           262           263           264           265 
      1   0.872925D+01 -0.942452D+01  0.253132D+01  0.445205D+01 -0.447959D+01
      2   0.846987D+01  0.837233D+01  0.796309D+01  0.158326D+01  0.404078D+01
      3   0.111465D+02 -0.120988D+03 -0.260698D+02  0.395178D+02 -0.175153D+01
               266           267           268           269           270 
      1  -0.236339D+01  0.280812D+00  0.236291D+01  0.625691D+01  0.348854D+01
      2  -0.110731D+01 -0.354111D+01 -0.121314D+02 -0.472484D+01 -0.275887D+01
      3   0.166896D+02  0.560283D+01 -0.799005D+00 -0.590895D+01  0.886830D+01
               271           272           273           274           275 
      1   0.220195D+01 -0.222580D+01  0.574801D+01  0.361909D+01 -0.399274D+01
      2   0.131243D+01 -0.111552D+01  0.285797D+01 -0.232070D+00  0.110719D+01
      3  -0.174274D+02  0.167924D+02 -0.222041D+01  0.154845D+02 -0.194453D+02
               276           277           278           279           280 
      1  -0.222174D+01  0.247310D+01  0.708857D+00 -0.283907D+00 -0.543277D+01
      2  -0.101203D+01  0.864155D+00  0.177484D+00  0.141599D+00 -0.123473D+01
      3  -0.564111D+01 -0.889948D+01  0.906450D+00 -0.498415D+01  0.634256D+01
               281           282           283           284           285 
      1  -0.132326D+01 -0.685979D+01 -0.980581D+00 -0.118915D+02 -0.126549D+02
      2   0.232204D+00 -0.247545D+00 -0.105773D+01  0.140218D+01  0.199341D+01
      3  -0.305441D+01  0.661026D+01  0.855568D+00 -0.270696D+01 -0.246725D+01
               286           287           288           289           290 
      1  -0.836154D+00 -0.868959D+01 -0.591972D+01 -0.846103D+01  0.425721D+00
      2  -0.210896D+01  0.572636D+00  0.967985D+00  0.156141D+01  0.937362D+00
      3   0.694036D+01  0.299980D+01  0.255657D-01  0.132669D+02 -0.291410D+01
               291           292           293           294           295 
      1  -0.554738D+01 -0.335104D-01 -0.202407D+01 -0.161635D+01 -0.124070D+01
      2   0.716310D+01  0.388126D+01 -0.112536D+01  0.274470D+01 -0.131993D+01
      3   0.602062D+01 -0.612654D+01  0.772128D+01 -0.633515D+00  0.441508D+01
               296           297           298           299           300 
      1  -0.158675D+01 -0.447400D+00  0.680611D+00 -0.345654D+01 -0.926141D+00
      2   0.114317D+01  0.253432D+01  0.283786D+01  0.183560D+01  0.343193D+01
      3   0.981721D+00 -0.154020D+01 -0.655811D+01  0.294448D+01 -0.494449D+01
               301           302           303           304           305 
      1  -0.119636D+01  0.303307D+00 -0.509415D+01  0.488943D+00  0.212188D+01
      2   0.151750D+01  0.123625D+02  0.807930D+01  0.188800D+01  0.265845D+01
      3  -0.171441D+01 -0.266000D+02 -0.119230D+02 -0.555880D+01 -0.898488D+01
               306           307           308           309           310 
      1  -0.355387D+01 -0.342608D+01  0.423787D+00  0.262945D+01  0.328422D+01
      2   0.443854D+01 -0.370273D+01 -0.648198D-01  0.429524D+01  0.374937D+01
      3  -0.439829D+01  0.128174D+02 -0.565925D+01  0.578902D+00 -0.955768D+01
               311           312           313           314           315 
      1  -0.452532D+01 -0.350090D+01  0.212109D+00  0.670502D+00 -0.225477D+00
      2  -0.659327D+01 -0.447529D+01 -0.319358D+00  0.175239D+01 -0.413105D+00
      3   0.225179D+02  0.324803D+01 -0.120860D+01  0.722259D+01 -0.237350D+01
               316           317           318           319           320 
      1   0.144888D+01  0.681478D+00  0.308182D+00  0.104297D+01  0.266988D+01
      2   0.730924D+01  0.269042D+00  0.848694D+01  0.445092D+01  0.419833D+01
      3  -0.156762D+02 -0.310353D+01 -0.423210D+01 -0.801957D+01 -0.118338D+02
               321           322           323           324           325 
      1   0.176989D+00  0.189246D+00  0.565102D+00 -0.720356D+00 -0.168898D+01
      2   0.258379D+01 -0.280388D+00 -0.155581D+01  0.184572D+01  0.256302D+01
      3  -0.409115D+01 -0.728341D+01 -0.450189D+01  0.175792D+01 -0.168300D+02
               326           327           328           329           330 
      1   0.234210D+01  0.405625D+01  0.411003D+01 -0.129440D+01 -0.463621D+01
      2   0.388562D+00  0.332806D+01  0.185092D+01  0.298892D+00 -0.303073D+01
      3  -0.959195D+00  0.175248D+01 -0.775880D+00 -0.427326D+01 -0.203155D+01
               331           332           333           334           335 
      1  -0.289766D+01 -0.792001D+00 -0.121706D+01 -0.106789D+01 -0.146739D+01
      2  -0.164327D+01 -0.276889D+00 -0.125529D+01 -0.270834D+01 -0.258448D+01
      3  -0.187675D+01 -0.688520D+01  0.397048D+01  0.131424D+02  0.127843D+02
               336           337           338           339           340 
      1  -0.140263D+01 -0.120834D+01 -0.771339D+01 -0.842459D+01  0.288771D+01
      2   0.205223D-01 -0.160931D+01 -0.708110D+01 -0.241430D+01  0.609555D+00
      3   0.145504D+01  0.519828D+01  0.251979D+02  0.904576D+01 -0.178656D+01
               341           342           343           344           345 
      1   0.219701D+01 -0.277915D+01 -0.152294D+01 -0.121904D+01 -0.162573D+01
      2  -0.106751D+01 -0.264374D+00  0.985075D+00  0.459576D-01  0.639158D+00
      3   0.771454D+01 -0.454212D+00 -0.162312D+00  0.249326D+01  0.192363D+01
               346           347           348           349           350 
      1  -0.280101D+01 -0.740179D+01 -0.818727D+01 -0.685996D+00 -0.141467D+01
      2   0.884624D-01  0.393139D+01  0.272927D+01 -0.851659D+00  0.426843D+00
      3   0.485824D+01 -0.217205D+01 -0.341976D+00  0.267515D+01 -0.334104D+01
               351           352           353           354           355 
      1  -0.278215D+01 -0.281994D+00 -0.256912D+00 -0.308042D+01 -0.252562D+01
      2   0.681811D+00 -0.113252D+01 -0.433245D+00  0.456083D+01  0.266468D+01
      3  -0.163203D+00  0.284571D+02  0.726880D+01 -0.154993D+01  0.508430D+01
               356           357           358           359           360 
      1  -0.128909D+01 -0.110891D+01  0.646897D+00  0.219177D+00 -0.703443D+00
      2   0.979376D+00  0.115646D+01 -0.144304D+01 -0.651296D+00  0.667417D+00
      3   0.282106D+01  0.214209D+01 -0.404101D+01  0.965231D+00 -0.385746D-01
               361           362           363           364           365 
      1   0.354824D+01 -0.543917D+01 -0.107721D+01 -0.185519D+01  0.899099D+01
      2   0.574627D+01  0.966499D+00  0.157604D+02 -0.352412D+01 -0.617475D+01
      3   0.100094D+02 -0.321381D+02  0.178873D+01  0.642661D+01  0.300593D+02
               366           367           368           369           370 
      1  -0.419960D+01 -0.767545D+01  0.147921D+02  0.687574D+01  0.103575D+01
      2  -0.394755D+01 -0.515152D+00 -0.529442D+01 -0.115766D+02 -0.208868D+01
      3   0.634698D+01  0.975058D+01  0.153908D+02  0.153144D+02  0.202961D+01
               371           372           373           374           375 
      1   0.442683D+01 -0.477671D+00  0.150743D+01  0.790921D+01 -0.153273D+01
      2  -0.212023D+01 -0.542738D+00 -0.225060D+01 -0.373268D+01 -0.706221D+00
      3   0.414047D+01 -0.875181D+00  0.831684D+01  0.158179D+02 -0.272437D+01
               376           377           378 
      1   0.680983D+00  0.432426D+01  0.199477D+00
      2  -0.207480D+01 -0.172918D+01 -0.376201D+00
      3  -0.334692D+01  0.777274D+00  0.436412D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.292394D+01 -0.377195D+01  0.224695D+01  0.160241D+01 -0.371946D-01
      2  -0.246821D+01  0.221380D+01  0.279118D+01  0.194447D+01 -0.184704D+01
      3  -0.455734D+00  0.155815D+01 -0.503812D+01 -0.354688D+01  0.188423D+01
      4   0.335978D+00 -0.984143D+00  0.887440D+00  0.580404D-01 -0.197339D+00
      5  -0.838060D+01  0.855523D+01  0.277677D+01  0.798309D+01 -0.903389D+01
      6   0.408457D+01 -0.593855D+01 -0.452823D+00 -0.314147D+01  0.722732D+01
                 6             7             8             9            10 
      1  -0.317647D+01  0.140860D+01 -0.366945D+01 -0.209156D+00 -0.146768D+02
      2  -0.464125D+01  0.158351D+01 -0.175502D+01 -0.186641D+01  0.170694D+02
      3   0.781772D+01 -0.299211D+01  0.542446D+01  0.207556D+01 -0.239262D+01
      4   0.813422D+00  0.191925D+01  0.507673D+00  0.309530D+00  0.230089D+02
      5  -0.433910D+01  0.177476D+01 -0.174500D+01 -0.438831D+01 -0.268496D+02
      6   0.299845D+01 -0.516936D+00  0.303521D+01  0.426828D+01  0.127118D+02
                11            12            13            14            15 
      1   0.143227D+02  0.116083D+02 -0.156401D+02  0.969927D+01 -0.984029D+01
      2   0.514418D+00  0.351263D+02  0.194891D+02 -0.486416D+01  0.157613D+02
      3  -0.148371D+02 -0.467346D+02 -0.384901D+01 -0.483511D+01 -0.592102D+01
      4   0.249430D+01  0.817379D+01  0.811785D+01  0.181782D+02  0.845045D+01
      5   0.710960D+01  0.360376D+01 -0.147684D+02  0.132353D+01 -0.726896D+00
      6  -0.539966D+01  0.167105D+02  0.135273D+02  0.587613D+01  0.131708D+02
                16            17            18            19            20 
      1  -0.140400D+02  0.891838D+01 -0.334112D+01  0.232004D+02 -0.201146D+02
      2   0.363753D+02 -0.900106D+01  0.302733D+02 -0.200106D+02  0.114561D+02
      3  -0.223353D+02  0.826756D-01 -0.269322D+02 -0.318983D+01  0.865850D+01
      4   0.158234D+02  0.186384D+01  0.273969D+02 -0.280276D+02  0.538280D+01
      5  -0.148579D+02  0.172664D+02 -0.253079D+02  0.257430D+02 -0.226380D+02
      6   0.261461D+02 -0.113140D+02  0.234507D+02 -0.225645D+02  0.156021D+02
                21            22            23            24            25 
      1   0.172319D+02 -0.105796D+01  0.229401D+02  0.107380D+02  0.583245D+01
      2   0.210208D+01 -0.144344D+02 -0.130003D+02 -0.626823D+01 -0.208089D+02
      3  -0.193340D+02  0.154924D+02 -0.993980D+01 -0.446980D+01  0.149765D+02
      4  -0.204320D+02  0.145070D+02 -0.269891D+01  0.185335D+01 -0.175382D+02
      5   0.329964D+01  0.108363D+02  0.123134D+02  0.159910D+02  0.238030D+02
      6  -0.232744D+01  0.852204D+01 -0.111073D+02 -0.563011D+01 -0.216935D+02
                26            27            28            29            30 
      1  -0.118232D+01 -0.223130D+02 -0.174951D+01  0.173298D+00 -0.278065D+01
      2   0.128898D+02 -0.451226D+02 -0.809275D+01 -0.142171D+01 -0.101768D+02
      3  -0.117074D+02  0.674356D+02  0.984227D+01  0.124841D+01  0.129574D+02
      4  -0.296635D+01 -0.180405D+02  0.461637D+00  0.251437D+01  0.768882D+00
      5  -0.165648D+02  0.873128D+01  0.680868D+01  0.398217D+01  0.128801D+02
      6   0.343249D+01 -0.455452D+02  0.134543D+01  0.180423D+01 -0.159906D+01
                31            32            33            34            35 
      1  -0.389914D+01 -0.132595D+02 -0.229321D+02 -0.464918D+01 -0.111726D+02
      2  -0.599295D+01 -0.128156D+02 -0.268855D+02 -0.105059D+02 -0.153204D+02
      3   0.989209D+01  0.260752D+02  0.498176D+02  0.151550D+02  0.264931D+02
      4   0.446301D+01  0.742444D+01  0.944121D+01  0.383091D+01  0.594307D+01
      5   0.522344D+01  0.665182D+01  0.904401D+01  0.106374D+02  0.849567D+01
      6   0.681321D+01  0.173939D+02  0.205881D+02  0.648236D+01  0.124587D+02
                36            37            38            39            40 
      1  -0.248649D+02  0.151092D+01  0.138233D+02 -0.892412D+01  0.343164D+02
      2  -0.332880D+02 -0.501901D+01 -0.218362D+02 -0.848249D+01 -0.219951D+02
      3   0.581529D+02  0.350809D+01  0.801296D+01  0.174066D+02 -0.123212D+02
      4   0.974849D+01  0.298966D+01  0.808290D+01  0.678917D+01 -0.355139D+02
      5   0.178702D+02 -0.599439D+01  0.149431D+02 -0.121173D+01  0.197275D+02
      6   0.215517D+02  0.101077D+02 -0.112342D+01  0.682169D+01 -0.244866D+02
                41            42            43            44            45 
      1  -0.206125D+02  0.134019D+02 -0.167471D+02 -0.427072D+00 -0.450950D+02
      2   0.102504D+02  0.142755D+02  0.391481D+00  0.538345D+01 -0.136493D+02
      3   0.103622D+02 -0.276774D+02  0.163556D+02 -0.495638D+01  0.587443D+02
      4   0.882057D+01 -0.182308D+02 -0.308962D+02  0.183623D+02 -0.226993D+02
      5  -0.224607D+02 -0.291324D+01  0.556177D+01 -0.193031D+02  0.108239D+02
      6   0.199820D+02  0.306026D+01 -0.350705D+02  0.370611D+02 -0.474407D+02
                46            47            48            49            50 
      1   0.253102D+02 -0.122892D+01  0.980612D+01 -0.396701D+01  0.806256D+00
      2  -0.452669D+02  0.584122D+01 -0.367599D+02 -0.203536D+01 -0.290836D+01
      3   0.199567D+02 -0.461230D+01  0.269538D+02  0.600237D+01  0.210210D+01
      4  -0.253501D+02  0.900750D+01 -0.193042D+02  0.971100D+01 -0.369014D+01
      5   0.651763D+02 -0.106633D+02  0.539747D+02 -0.246236D+01  0.727935D+01
      6  -0.252387D+02  0.967829D+01 -0.241079D+02  0.742558D+01 -0.372747D+01
                51            52            53            54            55 
      1  -0.375005D+01  0.132341D+02  0.207270D+00  0.616890D+01  0.169420D+02
      2  -0.650081D+01 -0.375181D+02  0.147650D+01 -0.361632D+02 -0.573811D+01
      3   0.102509D+02  0.242840D+02 -0.168377D+01  0.299943D+02 -0.112039D+02
      4   0.627916D+01 -0.127700D+02  0.410291D+01 -0.115731D+02  0.191259D+02
      5   0.176234D+01  0.489306D+02 -0.446479D+01  0.469987D+02 -0.370349D+01
      6   0.461908D+01 -0.151368D+02  0.549783D+01 -0.152798D+02  0.173915D+02
                56            57            58            59            60 
      1   0.889387D+01  0.123171D+02  0.180606D+01 -0.163758D+02  0.176306D+02
      2  -0.724557D+01 -0.786982D+01  0.256234D+02  0.571147D+00  0.503851D+01
      3  -0.164830D+01 -0.444724D+01 -0.274294D+02  0.158047D+02 -0.226691D+02
      4  -0.139637D+02  0.172796D+02  0.106848D+02 -0.244920D+00  0.263694D+02
      5   0.138866D+02  0.620174D+01 -0.244658D+02  0.196597D+02 -0.210296D+02
      6  -0.229631D+02  0.980141D+01  0.281894D+02 -0.362260D+02  0.417941D+02
                61            62            63            64            65 
      1  -0.184331D+02  0.269468D+02  0.144001D+02  0.128196D+02 -0.411481D+01
      2   0.315377D+02 -0.294827D+02  0.127972D+02  0.119106D+02 -0.170720D+02
      3  -0.131045D+02  0.253590D+01 -0.271973D+02 -0.247302D+02  0.211868D+02
      4   0.377697D+02  0.365603D+01  0.174971D+02 -0.472261D+02  0.427191D+02
      5  -0.196695D+02  0.158760D+02 -0.925663D+01  0.153672D+02 -0.132175D+02
      6   0.265136D+02 -0.605651D+00  0.152991D+02 -0.201662D+02  0.218841D+02
                66            67            68            69            70 
      1  -0.126251D+00 -0.607006D+01 -0.190158D+01  0.158840D+01  0.196513D+01
      2   0.245146D+01 -0.206080D+02  0.318681D+02 -0.361851D+01 -0.388277D+01
      3  -0.232521D+01  0.266780D+02 -0.299665D+02  0.203011D+01  0.191764D+01
      4  -0.949424D+01  0.447488D+02 -0.475487D+02  0.548052D+01 -0.501404D+00
      5   0.711283D+01 -0.958357D+01  0.932979D+01 -0.442656D+01  0.620444D+01
      6  -0.900771D+01  0.178757D+02 -0.220659D+02  0.698939D+01 -0.517325D+01
                71            72            73            74            75 
      1  -0.213246D+01 -0.152197D+00 -0.229986D+02 -0.109157D+02 -0.219539D+02
      2   0.762370D+01  0.273054D+01 -0.214884D+02  0.112526D+02 -0.242738D+02
      3  -0.549124D+01 -0.257834D+01  0.444870D+02 -0.336854D+00  0.462276D+02
      4  -0.331553D+01 -0.575377D+01 -0.488873D+02  0.108300D+02 -0.346388D+02
      5  -0.429052D+01  0.194547D+01  0.209051D+02 -0.139416D+02  0.172585D+02
      6   0.307239D+01 -0.226976D+01 -0.399040D+02  0.381217D+01 -0.314483D+02
                76            77            78            79            80 
      1   0.381841D+02 -0.347677D+02  0.224718D+02  0.227846D+01 -0.118379D+02
      2   0.422906D+02  0.555436D+02  0.834327D+02  0.985165D+01  0.250876D+02
      3  -0.804747D+02 -0.207759D+02 -0.105904D+03 -0.121301D+02 -0.132497D+02
      4   0.453825D+02 -0.284415D+02  0.432964D+02 -0.282400D+01 -0.762202D+01
      5  -0.397469D+02 -0.675378D+01 -0.404116D+02 -0.502413D+01 -0.117591D+02
      6   0.552618D+02 -0.116181D+00  0.638504D+02  0.283848D+01  0.167489D+02
                81            82            83            84            85 
      1  -0.763452D+01 -0.505566D+02  0.818541D+02 -0.892064D+01 -0.183680D+02
      2   0.405271D+02 -0.482689D+01 -0.796685D+02 -0.338268D+02 -0.117578D+02
      3  -0.328926D+02  0.553835D+02 -0.218555D+01  0.427474D+02  0.301258D+02
      4  -0.116498D+01 -0.439085D+02  0.178048D+02 -0.195783D+02 -0.239107D+02
      5  -0.175756D+02  0.108027D+02  0.121282D+02  0.255311D+02  0.100390D+02
      6   0.111550D+02 -0.192829D+02 -0.114480D+02 -0.477136D+02 -0.979966D+01
                86            87            88            89            90 
      1  -0.575323D+01  0.497262D+01 -0.470425D+02  0.817678D+02 -0.292603D+02
      2  -0.869832D+00 -0.484151D+02  0.108122D+01 -0.104496D+03 -0.241944D+02
      3   0.662306D+01  0.434425D+02  0.459613D+02  0.227283D+02  0.534547D+02
      4   0.297480D+02 -0.611532D+01 -0.164886D+02  0.133847D+02 -0.271425D+02
      5   0.704596D+01  0.175597D+02  0.274244D+02  0.862250D+01  0.211251D+02
      6  -0.224211D+02 -0.109823D+02 -0.443705D+02  0.285255D+02 -0.569734D+02
                91            92            93            94            95 
      1   0.650631D+02 -0.278217D+02  0.380114D+02 -0.564730D+01  0.237902D+01
      2   0.187853D+02  0.312435D+02  0.500446D+02 -0.491546D+02 -0.145157D+02
      3  -0.838484D+02 -0.342177D+01 -0.880560D+02  0.548019D+02  0.121367D+02
      4   0.617762D+02 -0.284635D+02  0.463299D+02 -0.337954D+02  0.509874D+00
      5  -0.359704D+02 -0.543665D+01 -0.290730D+02  0.261693D+02 -0.653039D+01
      6   0.547703D+02 -0.450656D+01  0.595985D+02 -0.464304D+02 -0.331895D+00
                96            97            98            99           100 
      1  -0.646189D+01  0.319964D+02 -0.211622D+02  0.231988D+02 -0.372334D+02
      2  -0.614839D+02 -0.180764D+02  0.122689D+02 -0.827808D+01 -0.111122D+02
      3   0.679458D+02 -0.139200D+02  0.889328D+01 -0.149207D+02  0.483456D+02
      4  -0.412315D+02  0.995474D+01 -0.280213D+02  0.581205D+01 -0.329688D+02
      5   0.330397D+02 -0.454737D+00 -0.325652D+01 -0.447665D+01  0.290631D+01
      6  -0.481083D+02  0.491518D+01 -0.438190D+01  0.521051D+01 -0.264337D+02
               101           102           103           104           105 
      1  -0.147261D+02 -0.226003D+02 -0.113007D+03  0.153444D+03 -0.699199D+02
      2   0.961162D+00 -0.214246D+02  0.533382D+02 -0.118596D+03  0.293819D+02
      3   0.137650D+02  0.440249D+02  0.596686D+02 -0.348478D+02  0.405380D+02
      4   0.392856D+02 -0.236418D+02 -0.563235D+02 -0.225954D+02 -0.438367D+02
      5   0.170717D+02  0.142705D+02 -0.162601D+01 -0.345859D+02 -0.285371D+01
      6   0.692528D+00 -0.257552D+02 -0.545828D+02  0.158336D+02 -0.294078D+02
               106           107           108           109           110 
      1  -0.868190D+02  0.668544D+02 -0.465853D+02 -0.125273D+02  0.552727D+02
      2   0.272993D+02 -0.502658D+02 -0.543245D+01  0.498477D+02 -0.667769D+02
      3   0.595197D+02 -0.165886D+02  0.520177D+02 -0.373204D+02  0.115042D+02
      4  -0.418975D+02  0.979297D+01 -0.327142D+02  0.622459D+02  0.379783D+02
      5   0.548816D+01 -0.504392D+01 -0.210684D+01  0.139531D+02  0.180300D+02
      6  -0.398964D+02  0.532729D+01 -0.362254D+02  0.402655D+02 -0.106201D+02
               111           112           113           114           115 
      1   0.318175D+02  0.144317D+03 -0.183692D+03  0.792329D+02  0.613535D+02
      2  -0.225923D+01 -0.708328D+02  0.153608D+03 -0.185514D+02 -0.124521D+02
      3  -0.295583D+02 -0.734847D+02  0.300841D+02 -0.606815D+02 -0.489013D+02
      4   0.456135D+02  0.591855D+02 -0.124763D+02  0.377436D+02  0.452989D+02
      5   0.896873D+01 -0.566841D+01  0.249052D+02 -0.122043D+01  0.244200D+01
      6   0.223827D+02  0.537277D+02 -0.179210D+02  0.346823D+02  0.423942D+02
               116           117           118           119           120 
      1  -0.478054D+02  0.345987D+02  0.984253D+02 -0.143807D+03  0.445662D+02
      2   0.195919D+02 -0.162513D+01 -0.442921D+02  0.156454D+03  0.101780D+00
      3   0.282135D+02 -0.329735D+02 -0.541332D+02 -0.126462D+02 -0.446680D+02
      4  -0.714304D+01  0.426625D+02  0.520566D+02 -0.483400D+02  0.146147D+02
      5   0.255977D+02  0.230412D+00 -0.194916D+02 -0.105872D+02 -0.178304D+02
      6   0.392841D+01  0.353467D+02  0.239036D+02 -0.322739D+02  0.263779D+02
               121           122           123           124           125 
      1  -0.559743D+02  0.778779D+02 -0.153160D+02  0.489784D+02 -0.399763D+02
      2   0.499234D+02 -0.559254D+02  0.371356D+01 -0.354826D+02  0.348929D+02
      3   0.605082D+01 -0.219525D+02  0.116025D+02 -0.134957D+02  0.508342D+01
      4   0.104572D+02  0.301145D+02 -0.234802D+01  0.167515D+02 -0.389414D+02
      5   0.603511D+01 -0.871148D+01  0.633696D+01  0.106290D+00 -0.670790D+01
      6  -0.119455D+02 -0.114686D+02 -0.155964D+02  0.229353D+02 -0.688571D+01
               126           127           128           129           130 
      1   0.111590D+02 -0.113531D+03  0.128127D+03 -0.371968D+02 -0.176997D+02
      2   0.117206D+01  0.736303D+02 -0.521013D+02  0.286722D+02  0.143307D+02
      3  -0.123310D+02  0.399008D+02 -0.760262D+02  0.852452D+01  0.336902D+01
      4   0.872146D+01 -0.748790D+01 -0.140449D+03 -0.747278D+01  0.147017D+01
      5  -0.175027D+02 -0.125347D+02 -0.916572D+02 -0.356547D+01 -0.102348D+02
      6   0.511661D+02 -0.164979D+02  0.512142D+00 -0.645331D+01  0.211950D+02
               131           132           133           134           135 
      1  -0.561786D+02  0.123724D+02 -0.316520D+02  0.201415D+02 -0.135274D+02
      2   0.597973D+02 -0.197200D+02  0.263087D+02  0.613412D+01  0.464849D+01
      3  -0.361873D+01  0.734766D+01  0.534326D+01 -0.262756D+02  0.887889D+01
      4  -0.470696D+02  0.126110D+02  0.625101D+01 -0.553348D+02  0.142249D+00
      5  -0.346931D+02  0.599731D+01 -0.120192D+02 -0.378714D+02 -0.790069D+01
      6  -0.978985D+01 -0.311389D+01  0.364536D+00  0.470839D-01  0.575042D+00
               136           137           138           139           140 
      1   0.141065D+03 -0.134515D+03  0.384969D+02 -0.398024D+02  0.612808D+02
      2  -0.820966D+02  0.559158D+02 -0.166874D+02  0.306892D+02 -0.856494D+02
      3  -0.589684D+02  0.785993D+02 -0.218095D+02  0.911322D+01  0.243686D+02
      4  -0.103835D+02  0.131484D+03 -0.496177D+01  0.615237D+02  0.743570D+02
      5   0.108517D+02  0.948780D+02 -0.493437D+01  0.185567D+02  0.513805D+02
      6   0.658463D+01  0.429166D+01  0.793656D+01  0.239634D+02 -0.964315D+00
               141           142           143           144           145 
      1   0.586068D+00  0.586598D+01 -0.250031D+02  0.212594D+02  0.312841D+02
      2   0.147258D+01 -0.674703D+01 -0.465385D+01 -0.243787D+02  0.481404D+01
      3  -0.205864D+01  0.881048D+00  0.296569D+02  0.311934D+01 -0.360981D+02
      4   0.260771D+02  0.931751D+01  0.599482D+02  0.149869D+02  0.516998D+02
      5   0.100771D+02  0.313963D+02  0.502158D+02  0.139038D+02 -0.164443D+02
      6   0.703246D+01  0.177700D+02  0.183946D+01 -0.221593D+00  0.141551D+02
               146           147           148           149           150 
      1  -0.275035D+02  0.681242D+00 -0.780612D+01  0.239541D+02 -0.322842D+02
      2   0.149936D+02 -0.251145D+01 -0.109282D+02  0.371125D+02  0.299810D+02
      3   0.125099D+02  0.183021D+01  0.187343D+02 -0.610665D+02  0.230320D+01
      4   0.513419D+02  0.198554D+02 -0.654309D+02 -0.121900D+03 -0.427228D+02
      5   0.127602D+02  0.145409D+02 -0.348662D+02 -0.813738D+02 -0.303051D+02
      6   0.918027D+01  0.203902D+02 -0.463963D+02 -0.637602D+01 -0.274101D+02
               151           152           153           154           155 
      1  -0.234069D+02 -0.144300D+02  0.393615D+01 -0.472451D+02  0.162081D+02
      2  -0.118012D+02  0.226896D+02 -0.201296D+02 -0.825190D+01  0.424790D+02
      3   0.352082D+02 -0.825963D+01  0.161934D+02  0.554970D+02 -0.586872D+02
      4  -0.415186D+02 -0.272327D+02  0.357449D+01 -0.807238D+02 -0.466394D+02
      5   0.224072D+02 -0.212358D+02  0.224305D+02 -0.194370D+02 -0.529684D+02
      6   0.685695D+01  0.349500D+01  0.765745D+01 -0.526666D+02 -0.274482D+01
               156           157           158           159           160 
      1  -0.407719D+02  0.542221D+02 -0.103447D+02  0.347081D+02 -0.248150D+01
      2   0.216093D+02 -0.218799D+02  0.503756D+00 -0.328054D+02 -0.213273D+02
      3   0.191626D+02 -0.323422D+02  0.984089D+01 -0.190266D+01  0.238088D+02
      4  -0.601889D+02  0.672010D+02  0.714233D+02  0.107312D+02 -0.318576D+02
      5  -0.288269D+02  0.155153D+02  0.216316D+02  0.175357D+02  0.496351D+01
      6  -0.388798D+02  0.146928D+02 -0.155253D+02  0.105291D+02 -0.168681D+02
               161           162           163           164           165 
      1  -0.126634D+02 -0.302342D+02 -0.941513D+02 -0.843431D+02 -0.369309D+01
      2  -0.130604D+02 -0.640752D+01  0.631273D+02  0.951347D+02  0.556330D+01
      3   0.257238D+02  0.366417D+02  0.310239D+02 -0.107915D+02 -0.187021D+01
      4  -0.305018D+02 -0.411380D+01  0.626657D+02 -0.144934D+02 -0.149907D+02
      5   0.124383D+02  0.135215D+02 -0.541356D+02 -0.594715D+02 -0.581084D+00
      6   0.210886D+02  0.407792D+01 -0.945284D+01  0.268886D+02  0.189743D+01
               166           167           168           169           170 
      1   0.801888D+02  0.462359D+02  0.126415D+01  0.252708D+02  0.125163D+02
      2  -0.603686D+02 -0.917115D+02  0.325585D+01 -0.204696D+02 -0.199677D+02
      3  -0.198202D+02  0.454756D+02 -0.452000D+01 -0.480118D+01  0.745142D+01
      4  -0.179613D+02  0.893786D+02 -0.875912D+01 -0.124173D+01  0.281465D+02
      5   0.319530D+02  0.750647D+02 -0.578504D+01  0.651834D+01  0.269681D+02
      6  -0.186028D+02 -0.935336D+01 -0.240447D+01 -0.106133D+01 -0.172858D+01
               171           172           173           174           175 
      1  -0.683276D+01  0.141667D+03  0.232573D+02 -0.432659D+01 -0.482976D+02
      2  -0.362176D+01 -0.897542D+02 -0.305327D+02  0.901192D+01  0.408727D+02
      3   0.104545D+02 -0.519126D+02  0.727534D+01 -0.468532D+01  0.742495D+01
      4   0.265762D+01 -0.848396D+02 -0.669498D+01 -0.649727D+01  0.325380D+01
      5   0.264439D+01  0.463684D+02  0.444380D+02 -0.934693D+01 -0.531710D+02
      6  -0.185913D+01 -0.171327D+02 -0.590341D+01 -0.231817D+01  0.123114D+01
               176           177           178           179           180 
      1  -0.106708D+03 -0.699361D+01  0.244017D+01 -0.248706D+02 -0.176456D+01
      2   0.164907D+03  0.143028D+02  0.725004D+01  0.416351D+02  0.274588D+01
      3  -0.581987D+02 -0.730923D+01 -0.969021D+01 -0.167645D+02 -0.981320D+00
      4  -0.104078D+03 -0.958536D+01 -0.742211D+01 -0.231004D+02 -0.199727D+02
      5  -0.106180D+03 -0.901801D-01  0.178902D+01 -0.398714D+02 -0.107378D+02
      6   0.440992D+02  0.270746D+01 -0.141155D+02  0.259973D+02 -0.106611D+00
               181           182           183           184           185 
      1  -0.848797D+02  0.962555D+01  0.400289D+01 -0.144271D+03  0.283778D+02
      2   0.475221D+02 -0.158915D+02 -0.648407D+01  0.105037D+03 -0.210819D+02
      3   0.373577D+02  0.626593D+01  0.248118D+01  0.392342D+02 -0.729581D+01
      4   0.579381D+02  0.163804D+02  0.143863D+02  0.445569D+02 -0.281365D+02
      5  -0.283276D+02 -0.102513D+02  0.114181D+02 -0.343353D+02 -0.177450D+02
      6   0.179608D+02 -0.669406D+01 -0.201094D+01  0.269691D+02 -0.131005D+02
               186           187           188           189           190 
      1  -0.115596D+02 -0.728446D+02  0.237640D+02  0.182627D+02 -0.810190D+01
      2   0.426151D+01  0.517727D+02 -0.235638D+02 -0.159286D+02  0.175965D+01
      3   0.729805D+01  0.210719D+02 -0.200152D+00 -0.233414D+01  0.634225D+01
      4   0.328948D+02  0.143354D+02  0.121348D+02 -0.166179D+02 -0.437052D+00
      5  -0.179869D+02  0.297450D+02 -0.492038D+02 -0.166740D+02 -0.142337D+02
      6   0.137712D+02 -0.322989D+01  0.167110D+02 -0.163451D+01  0.252545D+01
               191           192           193           194           195 
      1   0.460206D+02 -0.240866D+02  0.162209D+03 -0.991029D+02 -0.596774D+01
      2  -0.376917D+02  0.123289D+02 -0.103440D+03  0.701100D+02  0.132223D+02
      3  -0.832894D+01  0.117577D+02 -0.587694D+02  0.289929D+02 -0.725461D+01
      4   0.156481D+02  0.518007D+01 -0.782751D+02  0.587710D+02 -0.287320D+02
      5  -0.482636D+01  0.151593D+02 -0.176471D+02  0.391559D+02  0.390973D+01
      6  -0.127701D+01  0.110719D+01 -0.199012D+02  0.892973D+01 -0.428726D+01
               196           197           198           199           200 
      1   0.858114D+01 -0.315735D+02  0.215613D+02  0.402123D+02  0.527834D+02
      2  -0.126365D+02  0.194836D+02 -0.234676D+02 -0.418930D+02 -0.517814D+02
      3   0.405534D+01  0.120899D+02  0.190621D+01  0.168070D+01 -0.100201D+01
      4  -0.442508D+02  0.889724D+01 -0.112730D+02 -0.316776D+02 -0.139961D+02
      5   0.493405D+02  0.220288D+02  0.241236D+02  0.275637D+02  0.350064D+02
      6  -0.167164D+02  0.280013D+01 -0.129480D+02  0.727016D+01 -0.177854D+02
               201           202           203           204           205 
      1  -0.298839D+01  0.250166D+01  0.288842D+02  0.877962D+01  0.258803D+01
      2  -0.190598D+01  0.218565D+02 -0.404706D+02 -0.181999D+02  0.100139D+02
      3   0.489436D+01 -0.243581D+02  0.115863D+02  0.942033D+01 -0.126019D+02
      4   0.121691D+02 -0.132745D+03 -0.265621D+02  0.284759D+02 -0.540063D+02
      5   0.335403D+01  0.447236D+02  0.762121D+01 -0.878742D+01  0.199546D+02
      6  -0.617316D+01  0.256757D+02 -0.844522D+01 -0.394966D+01  0.997649D+01
               206           207           208           209           210 
      1   0.752132D+01  0.360895D+01  0.959705D+01  0.119312D+03  0.173071D+02
      2  -0.699117D+01 -0.118780D+02 -0.128350D+02 -0.145319D+03 -0.989365D+01
      3  -0.530150D+00  0.826910D+01  0.323796D+01  0.260062D+02 -0.741341D+01
      4  -0.599826D+01  0.891225D+01 -0.484730D+02  0.327845D+02  0.199468D+02
      5  -0.370100D+00  0.135466D+01  0.454155D+02  0.504804D+02  0.136582D+02
      6  -0.759796D+00 -0.634222D+01  0.448258D+01 -0.341701D+02 -0.300471D+02
               211           212           213           214           215 
      1   0.117059D+02  0.825757D+02  0.622886D+01 -0.659832D+01  0.245272D+02
      2  -0.240833D+02 -0.120773D+03 -0.104390D+02  0.209757D+02 -0.449918D+02
      3   0.123774D+02  0.381975D+02  0.421013D+01 -0.143773D+02  0.204646D+02
      4   0.860623D+00  0.574471D+02  0.250011D+02 -0.549796D+01  0.273014D+02
      5   0.248502D+02  0.775411D+02  0.371242D+01  0.349096D+02  0.121589D+02
      6   0.155329D+02 -0.448589D+02 -0.631529D+01 -0.363340D+02  0.544213D+01
               216           217           218           219           220 
      1  -0.450428D+01  0.166231D+02 -0.892531D+02 -0.137244D+02 -0.208316D+02
      2  -0.265002D+01 -0.307287D+02  0.114114D+03  0.130348D+02  0.246763D+02
      3   0.715430D+01  0.141056D+02 -0.248613D+02  0.689551D+00 -0.384466D+01
      4  -0.246824D+02  0.117283D+03 -0.469599D+02 -0.418693D+02 -0.100756D+02
      5  -0.870094D+01 -0.539104D+02 -0.572157D+02 -0.771049D+01  0.135366D+02
      6   0.859275D+01 -0.236390D+02  0.300382D+02  0.275307D+02  0.358260D+01
               221           222           223           224           225 
      1  -0.142032D+02  0.167614D+02 -0.113329D+02  0.103056D+02 -0.250676D+02
      2   0.243542D+02 -0.263840D+02  0.531814D+01 -0.366492D+02  0.128301D+02
      3  -0.101510D+02  0.962267D+01  0.601474D+01  0.263436D+02  0.122375D+02
      4  -0.264523D+02  0.614361D+01 -0.998114D+01 -0.673048D-01  0.221136D+01
      5  -0.538747D+01 -0.563677D+01  0.597976D+01 -0.149015D+02 -0.117867D+02
      6  -0.243471D+02  0.496551D+01  0.200480D+02  0.429556D+02  0.163931D+02
               226           227           228           229           230 
      1  -0.682347D+02  0.130257D+02  0.124268D+02  0.911938D+01 -0.470794D+02
      2   0.668388D+02 -0.136652D+02 -0.140405D+02 -0.333043D+02  0.649766D+02
      3   0.139584D+01  0.639432D+00  0.161368D+01  0.241849D+02 -0.178971D+02
      4  -0.212893D+02  0.408600D+02  0.256577D+02  0.137293D+03  0.250776D+02
      5   0.170494D+02  0.125306D+02 -0.733760D+01 -0.561827D+02 -0.170249D+02
      6   0.168542D+02 -0.632850D+01 -0.530925D+01 -0.297025D+02  0.135517D+02
               231           232           233           234           235 
      1  -0.657681D+01  0.978372D+01 -0.658749D+01 -0.188719D+02  0.507886D+02
      2   0.256801D+02 -0.174331D+02  0.979603D+01  0.180038D+02 -0.435208D+02
      3  -0.191033D+02  0.764934D+01 -0.320854D+01  0.868163D+00 -0.726782D+01
      4  -0.317897D+02  0.484416D+02  0.730332D+01 -0.131603D+02 -0.366866D+02
      5   0.964969D+01 -0.231698D+02 -0.425567D+01  0.810642D+01 -0.337270D+01
      6   0.686880D+01 -0.122576D+02  0.172841D+02  0.777510D+01 -0.167033D+01
               236           237           238           239           240 
      1  -0.225611D+01 -0.142711D+02 -0.293404D+01  0.339235D+01  0.160646D+02
      2  -0.130247D+02  0.703845D+01  0.546860D+01  0.213222D+01 -0.218595D+02
      3   0.152809D+02  0.723269D+01 -0.253456D+01 -0.552457D+01  0.579489D+01
      4  -0.673228D+02 -0.141718D+02  0.318077D+02  0.151958D+02 -0.100909D+02
      5  -0.118303D+02 -0.343527D+01  0.307797D+01 -0.927947D+01  0.752040D+00
      6   0.112992D+02 -0.778095D+00 -0.846869D+01 -0.262653D+02  0.703290D+01
               241           242           243           244           245 
      1  -0.858631D+01  0.194070D+02 -0.911932D+01 -0.649580D+01 -0.283415D+02
      2   0.535405D+01 -0.262099D+02  0.770364D+01 -0.325373D+01  0.365098D+02
      3   0.323226D+01  0.680288D+01  0.141568D+01  0.974954D+01 -0.816827D+01
      4   0.259991D+02  0.936949D+01  0.143636D+02  0.301572D+02  0.393430D+02
      5   0.977381D+01  0.118386D+02  0.110482D+02 -0.143371D+02  0.653541D+01
      6   0.763897D+01  0.201025D+02  0.129695D+02 -0.898960D+00 -0.109773D+01
               246           247           248           249           250 
      1  -0.450537D+01  0.499955D+02 -0.199886D+02 -0.207349D+02  0.378949D+02
      2   0.838132D+01 -0.525516D+02  0.515930D+01  0.169339D+02 -0.371318D+02
      3  -0.387594D+01  0.255611D+01  0.148293D+02  0.380093D+01 -0.763138D+00
      4   0.460987D+01 -0.232627D+02 -0.495214D+02 -0.250702D+02 -0.217747D+02
      5   0.222224D+02 -0.409823D+02 -0.148455D+02  0.648679D+01  0.145598D+02
      6   0.141901D+02 -0.221172D+02 -0.124604D+01  0.434842D+01  0.176806D+02
               251           252           253           254           255 
      1   0.114392D+01 -0.857011D+01  0.676870D+01  0.204972D+02 -0.503867D+01
      2  -0.119822D+02  0.215993D+01 -0.158978D+02  0.351952D+01  0.592785D+01
      3   0.108382D+02  0.641018D+01  0.912908D+01 -0.240168D+02 -0.889176D+00
      4  -0.421588D+02  0.116494D+02  0.802154D+02  0.226088D+02 -0.889001D+01
      5   0.294515D+01 -0.789664D+01 -0.169301D+02  0.536306D+01 -0.366572D+01
      6   0.182827D+02 -0.108744D+02 -0.569399D+01  0.652208D+01  0.598915D+01
               256           257           258           259           260 
      1  -0.294073D+02  0.920114D+01  0.103921D+02 -0.717162D+01 -0.148677D+01
      2   0.350237D+02 -0.367234D+00  0.161880D+01  0.145397D+02  0.402902D+01
      3  -0.561636D+01 -0.883390D+01 -0.120109D+02 -0.736803D+01 -0.254225D+01
      4  -0.448462D+00  0.491835D+02  0.163271D+02 -0.193818D+02  0.141040D+02
      5   0.707976D+01  0.160624D+02  0.992261D+01  0.143744D+02  0.831455D+01
      6   0.133058D+02 -0.353935D+01 -0.316978D+01  0.173754D+02  0.237745D+01
               261           262           263           264           265 
      1   0.322778D+01 -0.340723D+02 -0.136461D+02  0.107349D+02 -0.113496D+02
      2  -0.689069D+01  0.453250D+02 -0.253391D+01 -0.218946D+02  0.708228D+01
      3   0.366290D+01 -0.112527D+02  0.161800D+02  0.111598D+02  0.426735D+01
      4   0.145782D+02 -0.809164D+02 -0.274632D+02  0.543451D+01  0.123725D+02
      5  -0.918493D+00  0.362381D+02 -0.220443D+02 -0.136654D+02  0.144055D+02
      6  -0.123560D+02  0.537793D+01  0.315866D+01 -0.379977D+01 -0.235029D+01
               266           267           268           269           270 
      1   0.941048D+01  0.661066D+01 -0.102372D+00  0.878510D+01 -0.885537D+01
      2  -0.174048D+02 -0.621864D+01 -0.116056D+01 -0.458422D+01 -0.103633D+02
      3   0.799431D+01 -0.392022D+00  0.126293D+01 -0.420088D+01  0.192186D+02
      4  -0.105774D+02 -0.334550D+00  0.160339D+02  0.843375D+01 -0.847695D+01
      5   0.416800D+01 -0.816713D+01  0.387673D+01 -0.548198D+01 -0.111692D+00
      6  -0.769430D+01  0.261486D+00 -0.197601D+01  0.831119D+00 -0.885412D+01
               271           272           273           274           275 
      1  -0.957465D+01  0.213800D+02 -0.160850D+01  0.154152D+02 -0.355544D+02
      2   0.307671D+02 -0.507619D+02 -0.588090D+00 -0.362834D+02  0.764511D+02
      3  -0.211924D+02  0.293818D+02  0.219659D+01  0.208681D+02 -0.408967D+02
      4  -0.330918D+02  0.432890D+02  0.190193D+01  0.305225D+02 -0.471911D+02
      5  -0.262624D+01  0.413240D+01  0.330711D+01  0.578671D+01 -0.781950D+01
      6  -0.351611D+01  0.544741D+01 -0.699590D+01 -0.395962D+01  0.335727D+01
               276           277           278           279           280 
      1  -0.459986D+01  0.203442D+01 -0.865886D+01 -0.185990D+01 -0.166906D+01
      2   0.694447D+01 -0.631305D+01  0.140587D+02  0.238770D+01  0.535797D+01
      3  -0.234461D+01  0.427863D+01 -0.539983D+01 -0.527794D+00 -0.368891D+01
      4  -0.556230D+01 -0.393263D+01 -0.482076D+00 -0.657632D+01  0.778725D+01
      5  -0.253286D+01  0.277918D+01 -0.377774D+01 -0.739271D-01  0.146015D+01
      6   0.491565D+01 -0.501301D+01  0.657364D+01  0.156980D+01  0.888264D+01
               281           282           283           284           285 
      1  -0.815663D+01 -0.350170D+01 -0.675156D+01 -0.587426D+02 -0.294561D+02
      2   0.114583D+02  0.522814D+01  0.970423D+01  0.926790D+02  0.397168D+02
      3  -0.330163D+01 -0.172644D+01 -0.295267D+01 -0.339364D+02 -0.102607D+02
      4   0.140200D+02  0.992125D+01  0.756121D+01  0.247004D+02  0.999528D+01
      5   0.374554D+01  0.272917D+01  0.167663D+01 -0.114264D+01 -0.242343D+00
      6   0.921224D+01  0.104966D+02  0.541953D+01  0.488221D+02  0.323191D+02
               286           287           288           289           290 
      1  -0.544953D+01 -0.318642D+02 -0.213908D+02  0.103396D+03  0.245304D+02
      2   0.115903D+02  0.455995D+02  0.263408D+02 -0.646363D+02 -0.132464D+02
      3  -0.614077D+01 -0.137352D+02 -0.494999D+01 -0.387599D+02 -0.112840D+02
      4   0.104138D+02  0.182754D+02  0.119486D+02  0.622183D+02  0.239705D+02
      5   0.189569D+01  0.179425D+01  0.332356D+01  0.556876D+02  0.139741D+02
      6   0.451641D+01  0.347862D+02  0.229737D+02  0.166392D+02  0.668297D+01
               291           292           293           294           295 
      1   0.373153D+02  0.608821D+01  0.144943D+02  0.457056D+01  0.360581D+02
      2  -0.278956D+02 -0.154441D+01 -0.549457D+01 -0.294655D+01 -0.217025D+02
      3  -0.941970D+01 -0.454380D+01 -0.899972D+01 -0.162401D+01 -0.143556D+02
      4   0.241954D+02  0.240194D+02  0.125367D+02  0.115411D+02  0.275661D+02
      5   0.318342D+02  0.119328D+02  0.653434D+01  0.790797D+01  0.244069D+02
      6   0.962503D+01  0.942453D+01  0.417610D+01  0.647290D+01  0.765930D+01
               296           297           298           299           300 
      1   0.839337D+01  0.156156D+02 -0.280732D-01  0.510528D+01 -0.101653D+01
      2  -0.493368D+01 -0.115732D+02  0.540264D+01  0.157686D+01  0.178664D+01
      3  -0.345969D+01 -0.404247D+01 -0.537456D+01 -0.668214D+01 -0.770113D+00
      4   0.954699D+01  0.124115D+02  0.192397D+02  0.253213D+02  0.149335D+02
      5   0.920906D+01  0.157753D+02  0.911201D+01  0.128291D+02  0.102573D+02
      6   0.529356D+01  0.534393D+01  0.103870D+02  0.134954D+02  0.867582D+01
               301           302           303           304           305 
      1  -0.595125D+01 -0.343215D+02 -0.166986D+02 -0.551991D+01 -0.978945D+01
      2   0.173422D+02  0.535404D+02  0.203831D+02  0.798352D+01  0.211307D+02
      3  -0.113910D+02 -0.192189D+02 -0.368449D+01 -0.246361D+01 -0.113412D+02
      4   0.331184D+02  0.669495D+02  0.332919D+02  0.212953D+02  0.395900D+02
      5   0.119291D+02  0.255194D+02  0.169398D+02  0.113816D+02  0.141204D+02
      6   0.191239D+02  0.502499D+02  0.307218D+02  0.136512D+02  0.268080D+02
               306           307           308           309           310 
      1  -0.885100D+01  0.752868D+02 -0.432196D+02 -0.375969D+01 -0.425303D+02
      2   0.947796D+01 -0.278280D+02  0.137661D+02  0.206551D+01  0.762651D+01
      3  -0.626959D+00 -0.474588D+02  0.294536D+02  0.169418D+01  0.349038D+02
      4   0.206406D+02 -0.746848D+02  0.508986D+02  0.206400D+01  0.654303D+02
      5   0.128841D+02 -0.995875D+01  0.236864D+01  0.796404D+01  0.991244D+01
      6   0.214770D+02 -0.114212D+01  0.180179D+01 -0.363677D+01 -0.107415D+01
               311           312           313           314           315 
      1   0.297484D+02  0.445900D+01 -0.522614D+01  0.221037D+01  0.206696D+01
      2   0.163465D+01 -0.197027D+01  0.777962D+00  0.168205D+01 -0.496959D+00
      3  -0.313830D+02 -0.248873D+01  0.444818D+01 -0.389242D+01 -0.157000D+01
      4  -0.603673D+02 -0.567965D+01  0.109326D+02 -0.120595D+02 -0.384644D+01
      5  -0.121186D+02 -0.749615D+01  0.638640D+01 -0.504350D+00 -0.964171D+00
      6   0.224484D+01  0.453504D+01 -0.274278D+01  0.126910D+01  0.202899D+01
               316           317           318           319           320 
      1   0.159129D+03  0.861961D+01  0.305300D+02  0.210015D+02  0.115248D+02
      2  -0.982046D+02 -0.561046D+01 -0.215854D+02 -0.145244D+02 -0.719658D+01
      3  -0.609245D+02 -0.300915D+01 -0.894464D+01 -0.647710D+01 -0.432822D+01
      4   0.866493D+00  0.725151D+01 -0.119483D+01  0.185364D+02  0.574929D+01
      5   0.417757D+02  0.179809D+01  0.197414D+02  0.115874D+02  0.836446D+01
      6  -0.645465D+01  0.846930D+00 -0.234904D+01  0.162625D+01 -0.338749D+00
               321           322           323           324           325 
      1   0.743288D+01  0.435703D+02  0.473717D+01  0.118821D+02  0.178461D+02
      2  -0.599992D+01 -0.295016D+02 -0.229574D+01 -0.869845D+01  0.125531D+02
      3  -0.143296D+01 -0.140687D+02 -0.244143D+01 -0.318368D+01 -0.303992D+02
      4   0.407018D+01  0.396129D+01  0.289012D+01  0.385326D+00 -0.679292D+02
      5   0.518122D+01  0.154218D+02 -0.246050D+01  0.763662D+01 -0.151486D+02
      6   0.109944D+01 -0.102550D+01  0.205617D+01  0.786198D+00  0.111838D+02
               326           327           328           329           330 
      1  -0.502197D+01 -0.272333D+01  0.450713D+01 -0.827792D+01 -0.230240D+01
      2  -0.226953D+02 -0.282105D+01 -0.275477D+02  0.404533D+02  0.781804D+01
      3   0.277172D+02  0.554438D+01  0.230406D+02 -0.321754D+02 -0.551564D+01
      4   0.606528D+02  0.161176D+02  0.512529D+02 -0.655508D+02 -0.170584D+02
      5   0.146448D+02  0.993087D+01  0.144334D+02 -0.131977D+02 -0.819420D+01
      6  -0.123267D+02 -0.857750D+01 -0.149943D+02  0.162275D+02  0.109101D+02
               331           332           333           334           335 
      1   0.743116D+00 -0.416992D+00  0.213424D+00 -0.785967D+01 -0.178879D+02
      2  -0.100477D+02  0.649097D+01  0.311552D+01  0.116858D+02  0.236921D+02
      3   0.930454D+01 -0.607398D+01 -0.332894D+01 -0.382617D+01 -0.580424D+01
      4   0.163484D+02 -0.170349D+02 -0.695851D+01  0.455880D+01  0.157074D+02
      5   0.513353D+01 -0.716399D+01 -0.437842D+01 -0.938739D+00  0.229693D+01
      6  -0.251474D+01  0.902177D+01  0.423117D+01  0.444860D+01  0.784562D+01
               336           337           338           339           340 
      1  -0.458461D+01 -0.367584D+01 -0.851593D+02 -0.245613D+02 -0.499444D+00
      2   0.545152D+01  0.379180D+01  0.126585D+03  0.314480D+02  0.286773D+01
      3  -0.866912D+00 -0.115953D+00 -0.414261D+02 -0.688672D+01 -0.236828D+01
      4   0.322933D+01  0.642178D+01 -0.129393D+02 -0.381221D+01  0.240847D+00
      5   0.229645D+01  0.103466D+01 -0.588869D+01 -0.320847D+01  0.309955D+01
      6   0.391084D+01  0.269231D+01  0.477668D+02  0.222532D+02 -0.281519D+01
               341           342           343           344           345 
      1  -0.293043D+02 -0.983669D+01 -0.382783D+01 -0.688439D+01 -0.140875D+01
      2   0.427485D+02  0.123885D+02  0.128099D+02  0.189373D+02  0.387379D+01
      3  -0.134442D+02 -0.255179D+01 -0.898203D+01 -0.120529D+02 -0.246504D+01
      4  -0.685576D+01 -0.132995D+01  0.143583D+02  0.264780D+02  0.640639D+01
      5  -0.108581D+01 -0.294902D+00  0.235684D+01  0.512533D+01  0.381472D+01
      6   0.170340D+02  0.110356D+02  0.490676D+01  0.458743D+01  0.290403D+01
               346           347           348           349           350 
      1  -0.139330D+02 -0.571706D+02 -0.155698D+02 -0.368990D+01 -0.205694D+02
      2   0.272001D+02  0.983366D+02  0.232062D+02  0.612750D+01  0.314559D+02
      3  -0.132671D+02 -0.411660D+02 -0.763638D+01 -0.243760D+01 -0.108866D+02
      4   0.224924D+02  0.522183D+02  0.144986D+02  0.705687D+01  0.161594D+02
      5   0.603476D+01  0.139270D+02  0.637923D+01  0.198477D+01  0.500736D+01
      6   0.932785D+01  0.286541D+02  0.163182D+02  0.432194D+01  0.146464D+02
               351           352           353           354           355 
      1  -0.870119D+01  0.508423D+02  0.190898D+02 -0.851270D+00  0.106302D+02
      2   0.112773D+02 -0.138177D+02  0.564860D+00  0.595097D+00  0.510789D+01
      3  -0.257609D+01 -0.370246D+02 -0.196546D+02  0.256173D+00 -0.157381D+02
      4   0.562594D+01  0.724183D+02  0.406324D+02 -0.177210D+01  0.324998D+02
      5   0.293738D+01 -0.282035D+01 -0.936899D+00  0.716192D+01  0.240620D+01
      6   0.883207D+01 -0.592486D+01 -0.349225D+01  0.507834D+01  0.653730D+00
               356           357           358           359           360 
      1   0.609580D+01  0.396941D+00 -0.281752D+01 -0.718903D+00  0.224025D+01
      2   0.701443D+01 -0.277212D+00  0.421168D+01  0.210843D+01 -0.357689D+00
      3  -0.131102D+02 -0.119729D+00 -0.139416D+01 -0.138953D+01 -0.188256D+01
      4   0.262727D+02  0.190120D+01  0.184973D+01  0.408038D+01  0.352725D+01
      5   0.104362D+01  0.195904D+01  0.291776D+01  0.249170D+01  0.169389D+01
      6  -0.125790D+01  0.185448D+01  0.114791D+01  0.191649D+01  0.113533D+01
               361           362           363           364           365 
      1   0.127267D+03 -0.170158D+02 -0.241573D+02 -0.106589D+02  0.206138D+02
      2  -0.771250D+02  0.969190D+01  0.200031D+02  0.679599D+01 -0.140281D+02
      3  -0.501417D+02  0.732392D+01  0.415421D+01  0.386289D+01 -0.658563D+01
      4  -0.142358D+02  0.327991D+02  0.599909D+01  0.655455D+02 -0.203865D+02
      5  -0.496033D+02  0.826296D+01  0.431310D+02  0.460636D+01 -0.271836D+02
      6   0.180796D+01 -0.867877D+01 -0.128060D+01 -0.222981D+02  0.678763D+01
               366           367           368           369           370 
      1  -0.620180D+00  0.258008D+01  0.492775D-01  0.558743D+01 -0.434728D+01
      2  -0.496494D+01  0.215965D+02 -0.394139D+01 -0.465945D+02  0.184787D+01
      3   0.558512D+01 -0.241766D+02  0.389211D+01  0.410071D+02  0.249941D+01
      4  -0.264204D+02  0.103796D+02 -0.139839D+02 -0.254962D+01 -0.283715D+01
      5  -0.992611D+01  0.633349D+02 -0.116390D+02 -0.534104D+02  0.484381D+01
      6   0.238524D+02 -0.892024D+00  0.165797D+02 -0.402645D+01  0.232746D+00
               371           372           373           374           375 
      1  -0.224995D+01  0.734765D+00 -0.584366D+01 -0.702696D+01 -0.854484D+00
      2  -0.978138D+00 -0.196569D+01  0.317873D+01 -0.142318D+01 -0.467326D+01
      3   0.322809D+01  0.123093D+01  0.266494D+01  0.845014D+01  0.552774D+01
      4  -0.181710D+01  0.902704D+00 -0.165750D+01 -0.408497D+01 -0.671588D+00
      5   0.507853D+01 -0.211666D+01  0.468806D+01  0.543345D+01 -0.386462D+01
      6  -0.511863D+00 -0.403150D+00 -0.271647D+00  0.157672D+01  0.951636D+00
               376           377           378 
      1   0.494700D+00 -0.406745D+00 -0.494409D+01
      2   0.331333D-01 -0.362352D+01 -0.922900D+00
      3  -0.527833D+00  0.403027D+01  0.586699D+01
      4   0.200965D+01 -0.974572D+00 -0.111707D+01
      5   0.147276D+00 -0.108538D+01  0.590638D+00
      6  -0.467861D+00  0.133265D+01  0.232348D+01
 Leave Link  716 at Fri Jul 16 19:33:17 2021, MaxMem= 16106127360 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.445656D+03 -0.186549D+02  0.452361D+02
      2  -0.186549D+02  0.409984D+03  0.442691D+02
      3   0.452361D+02  0.442691D+02  0.245099D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.191923D+03 -0.277149D+02  0.140158D+03
      2  -0.114403D+03 -0.697962D+02 -0.559118D+02
      3   0.131794D+03  0.609308D+03 -0.216097D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.667736D+03  0.404802D+02 -0.312282D+03
      2   0.230984D+03  0.133295D+02 -0.209685D+02
      3   0.436752D+03 -0.538097D+02  0.333250D+03
      4   0.108568D+03 -0.368481D+03 -0.318881D+03
      5  -0.123005D+03 -0.187796D+03  0.489067D+02
      6  -0.299259D+03  0.103364D+03 -0.173806D+03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.126968D+01  0.158737D+01 -0.882934D-01  0.692713D+00 -0.107912D+01
      2   0.158737D+01 -0.214719D+01  0.429327D+00 -0.107912D+01  0.206253D+01
      3  -0.882934D-01  0.429327D+00 -0.925736D+00 -0.467022D+00  0.201813D+00
                 6             7             8             9            10 
      1  -0.467022D+00 -0.147803D+00 -0.660394D-01 -0.575988D+00 -0.417934D+01
      2   0.201813D+00 -0.660394D-01  0.276442D-01  0.830444D+00 -0.180476D+00
      3   0.109256D+01 -0.575988D+00  0.830444D+00  0.273264D+00 -0.219544D+01
                11            12            13            14            15 
      1  -0.180476D+00 -0.219544D+01 -0.195947D+01 -0.570310D+00 -0.135334D+01
      2  -0.705390D+00 -0.179060D+01 -0.570310D+00  0.254882D+01 -0.212169D+01
      3  -0.179060D+01 -0.745207D+01 -0.135334D+01 -0.212169D+01 -0.162862D+01
                16            17            18            19            20 
      1  -0.302061D+01 -0.365837D+00 -0.529982D+01  0.514679D+01 -0.535095D+00
      2  -0.365837D+00 -0.405849D+01  0.515350D+00 -0.535095D+00  0.323239D+01
      3  -0.529982D+01  0.515350D+00 -0.698917D+01  0.277760D+01  0.194641D+00
                21            22            23            24            25 
      1   0.277760D+01  0.247523D+01  0.187056D+01  0.181722D+01  0.340824D+01
      2   0.194641D+00  0.187056D+01  0.865903D+00  0.135630D-01 -0.118571D+01
      3   0.289333D+00  0.181722D+01  0.135630D-01  0.139706D+00  0.364172D+01
                26            27            28            29            30 
      1  -0.118571D+01  0.364172D+01  0.793808D+00  0.317379D+00  0.143733D+01
      2   0.535325D+00 -0.150502D+01  0.317379D+00  0.324925D-01  0.114675D+00
      3  -0.150502D+01  0.103389D+02  0.143733D+01  0.114675D+00  0.177390D+01
                31            32            33            34            35 
      1   0.258703D+00  0.851526D+00  0.114326D+01  0.133273D+01  0.112972D+01
      2   0.851526D+00  0.224113D+01  0.319333D+01  0.112972D+01  0.213346D+01
      3   0.114326D+01  0.319333D+01  0.551172D+01  0.187546D+01  0.310583D+01
                36            37            38            39            40 
      1   0.187546D+01  0.435541D+01  0.130329D+01  0.124865D+01  0.733697D+01
      2   0.310583D+01  0.130329D+01  0.206874D+01  0.108234D+01 -0.119021D+01
      3   0.632640D+01  0.124865D+01  0.108234D+01  0.238417D+01  0.213529D+01
                41            42            43            44            45 
      1  -0.119021D+01  0.213529D+01  0.388311D+01 -0.318504D+01  0.468647D+01
      2   0.214422D+01 -0.269791D+00 -0.318504D+01  0.357834D+01 -0.283070D+01
      3  -0.269791D+00 -0.111394D+01  0.468647D+01 -0.283070D+01  0.916768D+01
                46            47            48            49            50 
      1   0.787108D+01 -0.137227D+01  0.601459D+01 -0.826744D+00  0.908818D+00
      2  -0.137227D+01  0.628981D+00 -0.126955D+01  0.908818D+00 -0.319482D+00
      3   0.601459D+01 -0.126955D+01  0.559299D+01  0.750152D-01  0.744002D+00
                51            52            53            54            55 
      1   0.750152D-01  0.557136D+01 -0.282639D+00  0.487504D+01 -0.856769D+00
      2   0.744002D+00 -0.282639D+00  0.384686D+00 -0.344171D+00  0.133416D+01
      3   0.892304D+00  0.487504D+01 -0.344171D+00  0.496946D+01 -0.340710D+01
                56            57            58            59            60 
      1   0.133416D+01 -0.340710D+01 -0.475002D+01  0.733165D+00 -0.501240D+01
      2  -0.134535D+01  0.169391D+01  0.733165D+00 -0.391691D+01  0.343459D+01
      3   0.169391D+01 -0.168013D+01 -0.501240D+01  0.343459D+01 -0.624545D+01
                61            62            63            64            65 
      1  -0.956830D+01  0.108367D+01 -0.512717D+01  0.521728D+01 -0.437139D+01
      2   0.108367D+01  0.765849D+00  0.103511D+00 -0.437139D+01  0.431309D+01
      3  -0.512717D+01  0.103511D+00 -0.547806D+01  0.105432D+01 -0.109778D+01
                66            67            68            69            70 
      1   0.105432D+01 -0.458933D+01  0.452282D+01 -0.423237D+00  0.422534D+00
      2  -0.109778D+01  0.452282D+01 -0.542719D+01  0.624846D+00  0.509802D-01
      3   0.684941D+00 -0.423237D+00  0.624846D+00 -0.470236D+00  0.528113D+00
                71            72            73            74            75 
      1   0.509802D-01  0.528113D+00  0.124015D+02 -0.309548D+01  0.109112D+02
      2  -0.718294D+00 -0.621432D+00 -0.309548D+01  0.155758D+01 -0.102616D+01
      3  -0.621432D+00  0.721667D-01  0.109112D+02 -0.102616D+01  0.101313D+02
                76            77            78            79            80 
      1  -0.167513D+02  0.282113D+01 -0.176224D+02 -0.196361D+01 -0.696321D-01
      2   0.282113D+01 -0.705034D+01 -0.998322D+00 -0.696321D-01 -0.885223D+00
      3  -0.176224D+02 -0.998322D+00 -0.203667D+02 -0.215502D+01 -0.267551D+01
                81            82            83            84            85 
      1  -0.215502D+01  0.170896D+02 -0.899031D+01  0.883683D+01  0.767275D+01
      2  -0.267551D+01 -0.899031D+01  0.154309D+02 -0.718329D+00 -0.173869D+01
      3  -0.500598D+01  0.883683D+01 -0.718329D+00  0.116449D+02  0.572124D+01
                86            87            88            89            90 
      1  -0.173869D+01  0.572124D+01  0.105276D+02 -0.551943D+01  0.123705D+02
      2  -0.623429D+00  0.251613D+01 -0.551943D+01  0.146267D+02 -0.380779D+01
      3   0.251613D+01  0.643408D+01  0.123705D+02 -0.380779D+01  0.134784D+02
                91            92            93            94            95 
      1  -0.220374D+02  0.450821D+01 -0.180947D+02  0.980881D+01  0.245610D+00
      2   0.450821D+01 -0.534170D+01  0.109780D+01  0.245610D+00  0.429305D+01
      3  -0.180947D+02  0.109780D+01 -0.177554D+02  0.121922D+02  0.144816D+01
                96            97            98            99           100 
      1   0.121922D+02 -0.447979D+01  0.302638D+01 -0.345561D+01  0.110641D+02
      2   0.144816D+01  0.302638D+01 -0.119820D+01  0.300474D+01  0.220853D+01
      3   0.144242D+02 -0.345561D+01  0.300474D+01 -0.265303D+01  0.955928D+01
               101           102           103           104           105 
      1   0.220853D+01  0.955928D+01  0.256504D+02 -0.214141D+02  0.145792D+02
      2  -0.450679D+01 -0.159544D+00 -0.214141D+02  0.378900D+02 -0.838190D+01
      3  -0.159544D+00  0.858261D+01  0.145792D+02 -0.838190D+01  0.935879D+01
               106           107           108           109           110 
      1   0.186965D+02 -0.966009D+01  0.132544D+02 -0.764521D+01 -0.471785D+01
      2  -0.966009D+01  0.151625D+02 -0.342940D+01 -0.471785D+01  0.717912D+01
      3   0.132544D+02 -0.342940D+01  0.113634D+02 -0.804536D+01  0.785486D+00
               111           112           113           114           115 
      1  -0.804536D+01 -0.284758D+02  0.249993D+02 -0.171720D+02 -0.153416D+02
      2   0.785486D+00  0.249993D+02 -0.433335D+02  0.106410D+02  0.873252D+01
      3  -0.523620D+01 -0.171720D+02  0.106410D+02 -0.109055D+02 -0.113995D+02
               116           117           118           119           120 
      1   0.873252D+01 -0.113995D+02 -0.215431D+02  0.174527D+02 -0.111078D+02
      2  -0.123825D+02  0.253259D+01  0.174527D+02 -0.294328D+02  0.741994D+01
      3   0.253259D+01 -0.973128D+01 -0.111078D+02  0.741994D+01 -0.866392D+01
               121           122           123           124           125 
      1   0.620462D+01 -0.118749D+02  0.389308D+01 -0.914267D+01  0.844642D+01
      2  -0.118749D+02  0.136398D+02 -0.394040D+01  0.844642D+01 -0.101653D+02
      3   0.389308D+01 -0.394040D+01  0.297456D+01 -0.620745D+01  0.165748D+01
               126           127           128           129           130 
      1  -0.620745D+01  0.192723D+02 -0.995721D+01  0.630739D+01  0.121547D+00
      2   0.165748D+01 -0.995721D+01  0.633915D+02 -0.467226D+01  0.145669D+02
      3  -0.112003D+02  0.630739D+01 -0.467226D+01  0.212233D+01 -0.667278D+00
               131           132           133           134           135 
      1   0.145669D+02 -0.667278D+00  0.580383D+01  0.108247D+01  0.160986D+01
      2   0.174479D+02  0.442358D+01  0.108247D+01  0.233506D+02 -0.118986D+00
      3   0.442358D+01 -0.361461D-01  0.160986D+01 -0.118986D+00  0.519326D+00
               136           137           138           139           140 
      1  -0.194161D+02  0.715694D+01 -0.564638D+01 -0.675408D+00 -0.819069D+01
      2   0.715694D+01 -0.630907D+02  0.533951D+01 -0.819069D+01 -0.140708D+02
      3  -0.564638D+01  0.533951D+01 -0.113392D+01 -0.930460D+00 -0.199927D+01
               141           142           143           144           145 
      1  -0.930460D+00 -0.458406D+01  0.154416D+01 -0.430174D+01 -0.105156D+02
      2  -0.199927D+01  0.154416D+01 -0.220492D+02  0.111265D+01  0.321220D+00
      3  -0.625376D+00 -0.430174D+01  0.111265D+01 -0.209806D+01 -0.415172D+01
               146           147           148           149           150 
      1   0.321220D+00 -0.415172D+01  0.104328D+02  0.285349D+00  0.874680D+01
      2  -0.112177D+02  0.702398D-01  0.285349D+00  0.344297D+02 -0.150969D+01
      3   0.702398D-01 -0.492163D+01  0.874680D+01 -0.150969D+01  0.718103D+01
               151           152           153           154           155 
      1   0.274920D+01  0.210389D+01 -0.296392D+01  0.167986D+02 -0.400419D+01
      2   0.210389D+01  0.536518D+01  0.299129D+00 -0.400419D+01  0.134930D+02
      3  -0.296392D+01  0.299129D+00 -0.432825D+01  0.123225D+02 -0.191864D+01
               156           157           158           159           160 
      1   0.123225D+02 -0.122469D+02 -0.991243D+00 -0.537974D+01  0.437286D+01
      2  -0.191864D+01 -0.991243D+00 -0.196404D+02  0.262184D+01  0.844310D-01
      3   0.997032D+01 -0.537974D+01  0.262184D+01 -0.448910D+01  0.313556D+01
               161           162           163           164           165 
      1   0.844310D-01  0.313556D+01  0.354779D+02  0.183626D+02 -0.163766D+01
      2   0.243391D+01 -0.478347D+01  0.183626D+02  0.281513D+02  0.820228D-02
      3  -0.478347D+01 -0.669780D+00 -0.163766D+01  0.820228D-02  0.787304D+00
               166           167           168           169           170 
      1  -0.153795D+02 -0.147710D+02 -0.540620D+00 -0.418614D+01 -0.462422D+01
      2  -0.147710D+02 -0.474220D+02 -0.257116D+01 -0.462422D+01 -0.135843D+02
      3  -0.540620D+00 -0.257116D+01 -0.263214D+00  0.642068D+00 -0.135040D+01
               171           172           173           174           175 
      1   0.642068D+00 -0.315027D+02 -0.167471D+02  0.138957D+01  0.207962D+02
      2  -0.135040D+01 -0.167471D+02 -0.257180D+02  0.662286D+00  0.201734D+02
      3  -0.216255D+00  0.138957D+01  0.662286D+00  0.725648D+00 -0.158411D+00
               176           177           178           179           180 
      1   0.201734D+02 -0.158411D+00  0.403209D+01  0.433402D+01 -0.180294D+01
      2   0.564626D+02  0.205244D+01  0.433402D+01  0.121672D+02  0.230261D+01
      3   0.205244D+01  0.244820D+00 -0.180294D+01  0.230261D+01  0.987220D+00
               181           182           183           184           185 
      1   0.148227D+02  0.831727D+01  0.385261D-01  0.215972D+02  0.296267D+01
      2   0.831727D+01  0.985121D+01 -0.140804D+01  0.296267D+01  0.246319D+02
      3   0.385261D-01 -0.140804D+01 -0.110481D+01  0.268334D+01 -0.358234D+01
               186           187           188           189           190 
      1   0.268334D+01  0.930004D+01  0.153249D+01 -0.287837D+01 -0.387635D+01
      2  -0.358234D+01  0.153249D+01  0.561665D+01  0.316552D+01 -0.407765D+01
      3   0.235144D+01 -0.287837D+01  0.316552D+01  0.772118D+00  0.176889D+01
               191           192           193           194           195 
      1  -0.407765D+01  0.176889D+01 -0.218663D+02  0.293111D+01  0.282095D+00
      2   0.395054D+01 -0.121451D+01  0.293111D+01 -0.359949D+02  0.417608D+01
      3  -0.121451D+01 -0.139247D+01  0.282095D+00  0.417608D+01 -0.109920D+01
               196           197           198           199           200 
      1  -0.400400D+01  0.160503D+01 -0.458144D+01 -0.172139D+02 -0.125680D+02
      2   0.160503D+01 -0.647266D+01 -0.730368D+00 -0.125680D+02 -0.865960D+01
      3  -0.458144D+01 -0.730368D+00 -0.234175D+01 -0.766023D-02  0.916314D+00
               201           202           203           204           205 
      1  -0.766023D-02 -0.402605D+02 -0.698700D+01  0.880422D+01 -0.172447D+02
      2   0.916314D+00 -0.698700D+01 -0.100594D+02 -0.408160D+00 -0.187988D+01
      3  -0.113883D+00  0.880422D+01 -0.408160D+00 -0.205781D+01  0.290072D+01
               206           207           208           209           210 
      1  -0.187988D+01  0.290072D+01 -0.268005D+02 -0.137716D+02  0.374473D+01
      2  -0.309180D+01 -0.118206D+01 -0.137716D+02 -0.328971D+02 -0.188752D+01
      3  -0.118206D+01 -0.135612D+01  0.374473D+01 -0.188752D+01 -0.450186D+01
               211           212           213           214           215 
      1  -0.130554D+02 -0.154443D+02  0.220815D+01 -0.194237D+01 -0.226730D+01
      2  -0.154443D+02 -0.340796D+02 -0.213185D+01 -0.226730D+01 -0.905377D+01
      3   0.220815D+01 -0.213185D+01 -0.926992D+00 -0.458760D+01  0.980999D+00
               216           217           218           219           220 
      1  -0.458760D+01  0.413487D+02  0.122565D+02 -0.795202D+01 -0.639469D+01
      2   0.980999D+00  0.122565D+02  0.270907D+02  0.138456D+01  0.301719D+00
      3   0.224964D+01 -0.795202D+01  0.138456D+01  0.452346D+01  0.183216D+01
               221           222           223           224           225 
      1   0.301719D+00  0.183216D+01 -0.452689D+01 -0.353929D+00  0.320637D+01
      2   0.805492D+01 -0.166015D+01 -0.353929D+00 -0.130342D+01  0.497406D+01
      3  -0.166015D+01  0.496794D+00  0.320637D+01  0.497406D+01  0.197088D+01
               226           227           228           229           230 
      1  -0.884362D+01  0.369187D+01  0.442841D+01  0.451754D+02  0.956472D+01
      2   0.369187D+01  0.105716D+01 -0.350500D+00  0.956472D+01  0.124440D+02
      3   0.442841D+01 -0.350500D+00 -0.163820D+01 -0.985753D+01  0.437633D+00
               231           232           233           234           235 
      1  -0.985753D+01  0.162286D+02  0.287758D+01 -0.417825D+01 -0.559171D+01
      2   0.437633D+00  0.287758D+01  0.282096D+01  0.164416D+01 -0.568064D+01
      3   0.201354D+01 -0.417825D+01  0.164416D+01  0.225487D+01 -0.676077D+00
               236           237           238           239           240 
      1  -0.568064D+01 -0.676077D+00  0.396231D+01  0.240109D+01 -0.351653D+00
      2  -0.561150D+01  0.491435D+00  0.240109D+01  0.332948D+01 -0.219460D+01
      3   0.491435D+00  0.564652D-01 -0.351653D+00 -0.219460D+01  0.913414D+00
               241           242           243           244           245 
      1   0.430803D+01  0.216411D+01  0.144282D+01  0.121143D+02  0.308419D+01
      2   0.216411D+01 -0.704237D+00  0.249935D+01  0.308419D+01  0.697875D+01
      3   0.144282D+01  0.249935D+01  0.240453D+01 -0.153820D+01  0.550421D+00
               246           247           248           249           250 
      1  -0.153820D+01  0.459012D+01 -0.364610D+01 -0.518804D+01  0.579012D+00
      2   0.550421D+00 -0.364610D+01 -0.262221D+01 -0.556426D+00 -0.395041D+01
      3   0.312116D+01 -0.518804D+01 -0.556426D+00  0.123290D+01  0.246817D+01
               251           252           253           254           255 
      1  -0.395041D+01  0.246817D+01  0.193747D+02  0.247996D+01 -0.478350D+01
      2  -0.407649D+01  0.168036D+01  0.247996D+01  0.394752D+01  0.585500D+00
      3   0.168036D+01 -0.127052D+01 -0.478350D+01  0.585500D+00  0.128798D+01
               256           257           258           259           260 
      1  -0.471043D+01  0.163592D+01  0.137333D+01 -0.544012D+01 -0.896628D+00
      2   0.163592D+01  0.214619D+01  0.277158D+00 -0.896628D+00  0.964599D+00
      3   0.137333D+01  0.277158D+00  0.609411D+00  0.359434D+01  0.489199D+00
               261           262           263           264           265 
      1   0.359434D+01 -0.233814D+02  0.129605D+01  0.763140D+01 -0.142757D+01
      2   0.489199D+00  0.129605D+01 -0.285441D+01 -0.179868D+01 -0.725507D+00
      3  -0.171665D+01  0.763140D+01 -0.179868D+01 -0.328380D+01  0.136770D+01
               266           267           268           269           270 
      1  -0.725507D+00  0.136770D+01  0.269502D+01  0.985497D+00 -0.147408D+01
      2  -0.343940D+01  0.977917D+00  0.985497D+00  0.314047D+01 -0.203191D+01
      3   0.977917D+00 -0.112896D+01 -0.147408D+01 -0.203191D+01 -0.945781D+00
               271           272           273           274           275 
      1   0.338803D+01 -0.431504D+01  0.567519D-01 -0.292150D+01  0.445940D+01
      2  -0.431504D+01  0.630191D+01 -0.795185D-01  0.445940D+01 -0.860120D+01
      3   0.567519D-01 -0.795185D-01  0.796256D+00  0.856197D+00 -0.110754D+01
               276           277           278           279           280 
      1   0.856197D+00  0.876947D+00  0.124241D+00  0.759997D+00 -0.900482D+00
      2  -0.110754D+01  0.124241D+00 -0.145947D+01 -0.554295D+00 -0.621973D+00
      3  -0.286439D+00  0.759997D+00 -0.554295D+00 -0.907156D-01 -0.112897D+01
               281           282           283           284           285 
      1  -0.621973D+00 -0.112897D+01 -0.163674D+00 -0.119859D+01 -0.349314D+00
      2  -0.185398D+01 -0.703250D+00 -0.119859D+01 -0.996335D+01 -0.473477D+01
      3  -0.703250D+00 -0.139319D+01 -0.349314D+00 -0.473477D+01 -0.313586D+01
               286           287           288           289           290 
      1  -0.959035D+00 -0.125265D+01 -0.625564D+00 -0.119701D+02 -0.312892D+01
      2  -0.125265D+01 -0.521020D+01 -0.352814D+01 -0.312892D+01 -0.123635D+01
      3  -0.625564D+00 -0.352814D+01 -0.205763D+01 -0.490289D+01 -0.112042D+01
               291           292           293           294           295 
      1  -0.490289D+01 -0.158881D+01 -0.208965D+01 -0.110977D+01 -0.464922D+01
      2  -0.112042D+01 -0.208965D+01 -0.775664D-01 -0.826066D+00 -0.143234D+01
      3  -0.280627D+01 -0.110977D+01 -0.826066D+00 -0.952399D+00 -0.206992D+01
               296           297           298           299           300 
      1  -0.143234D+01 -0.206992D+01 -0.136251D+01 -0.234903D+01 -0.103087D+01
      2  -0.724103D+00 -0.110170D+01 -0.234903D+01 -0.157406D+01 -0.170784D+01
      3  -0.110170D+01 -0.115088D+01 -0.103087D+01 -0.170784D+01 -0.100464D+01
               301           302           303           304           305 
      1  -0.218302D+01 -0.350701D+01 -0.192954D+01 -0.109194D+01 -0.260201D+01
      2  -0.350701D+01 -0.965546D+01 -0.475361D+01 -0.260201D+01 -0.475033D+01
      3  -0.192954D+01 -0.475361D+01 -0.301922D+01 -0.133283D+01 -0.255199D+01
               306           307           308           309           310 
      1  -0.133283D+01 -0.882222D+01  0.582645D+01  0.374144D+00  0.635409D+01
      2  -0.255199D+01  0.582645D+01 -0.326129D+01 -0.562951D-01 -0.506983D+01
      3  -0.220843D+01  0.374144D+00 -0.562951D-01 -0.596553D+00 -0.622867D+00
               311           312           313           314           315 
      1  -0.506983D+01 -0.622867D+00  0.767972D+00 -0.774312D+00 -0.532538D+00
      2   0.565300D+01  0.680528D+00 -0.774312D+00  0.136183D+01 -0.720451D-01
      3   0.680528D+00  0.505269D+00 -0.532538D+00 -0.720451D-01  0.196398D+00
               316           317           318           319           320 
      1  -0.151040D+02 -0.762422D+00 -0.320442D+01 -0.214179D+01 -0.146641D+01
      2  -0.762422D+00 -0.172696D+00 -0.185646D+00 -0.146641D+01 -0.128853D+01
      3  -0.320442D+01 -0.185646D+00 -0.143178D+01 -0.929688D+00 -0.536764D+00
               321           322           323           324           325 
      1  -0.929688D+00 -0.425299D+01 -0.648641D+00 -0.110122D+01 -0.656839D+01
      2  -0.536764D+00 -0.648641D+00 -0.121781D+00  0.316661D+00  0.471632D+01
      3  -0.350797D+00 -0.110122D+01  0.316661D+00 -0.631103D+00  0.148920D+01
               326           327           328           329           330 
      1   0.471632D+01  0.148920D+01  0.340947D+01 -0.529773D+01 -0.152074D+01
      2  -0.544674D+01 -0.132235D+01 -0.529773D+01  0.631855D+01  0.161681D+01
      3  -0.132235D+01 -0.893534D+00 -0.152074D+01  0.161681D+01  0.107499D+01
               331           332           333           334           335 
      1   0.101872D+01 -0.194337D+01 -0.145846D+00  0.115086D+01  0.183387D+01
      2  -0.194337D+01  0.106086D+01  0.104997D+01  0.183387D+01  0.258441D+01
      3  -0.145846D+00  0.104997D+01  0.269565D+00  0.252933D+00  0.565556D+00
               336           337           338           339           340 
      1   0.252933D+00  0.467813D+00  0.371381D+00  0.226168D+00 -0.292523D+00
      2   0.565556D+00  0.371381D+00  0.134383D+02  0.382675D+01  0.442203D-01
      3   0.293409D+00  0.226168D+00  0.382675D+01  0.177030D+01 -0.242671D+00
               341           342           343           344           345 
      1   0.442203D-01 -0.242671D+00  0.129962D+01  0.199892D+01  0.469841D+00
      2   0.469737D+01  0.126146D+01  0.199892D+01  0.280205D+01  0.603554D+00
      3   0.126146D+01  0.930191D+00  0.469841D+00  0.603554D+00  0.394874D+00
               346           347           348           349           350 
      1   0.149233D+01  0.339091D+01  0.104492D+01  0.664484D+00  0.940540D+00
      2   0.339091D+01  0.111917D+02  0.301335D+01  0.940540D+00  0.377856D+01
      3   0.104492D+01  0.301335D+01  0.153377D+01  0.282805D+00  0.139481D+01
               351           352           353           354           355 
      1   0.282805D+00  0.101738D+02  0.469075D+01 -0.378122D+00  0.333037D+01
      2   0.139481D+01  0.469075D+01  0.293435D+01 -0.140827D+00  0.259517D+01
      3   0.789867D+00 -0.378122D+00 -0.140827D+00  0.753222D+00  0.373636D+00
               356           357           358           359           360 
      1   0.259517D+01  0.373636D+00  0.639237D-01  0.464484D+00  0.168428D+00
      2   0.232971D+01  0.147689D+00  0.464484D+00  0.510884D+00  0.246573D+00
      3   0.147689D+00  0.225834D+00  0.168428D+00  0.246573D+00  0.268864D+00
               361           362           363           364           365 
      1   0.116303D+02 -0.229810D+01 -0.248963D+01  0.145009D+01  0.571665D+01
      2  -0.229810D+01  0.198225D+01  0.157867D+00  0.571665D+01 -0.281249D+01
      3  -0.248963D+01  0.157867D+00  0.239875D+01 -0.416968D+00 -0.283437D+01
               366           367           368           369           370 
      1  -0.416968D+00 -0.495324D+00  0.703020D+00  0.572842D+01 -0.139035D+01
      2  -0.283437D+01  0.703020D+00 -0.141999D+01 -0.126183D+01 -0.119985D+01
      3  -0.690015D+00  0.572842D+01 -0.126183D+01 -0.680401D+01  0.352761D+00
               371           372           373           374           375 
      1  -0.119985D+01  0.352761D+00 -0.911742D+00 -0.105690D+01  0.647717D+00
      2  -0.188655D+01  0.474681D+00 -0.105690D+01 -0.316526D+01  0.496683D-01
      3   0.474681D+00 -0.385334D+00  0.647717D+00  0.496683D-01 -0.118950D+01
               376           377           378 
      1   0.308515D-01 -0.997684D-01 -0.131761D+00
      2  -0.997684D-01 -0.105391D+01 -0.686249D+00
      3  -0.131761D+00 -0.686249D+00 -0.659441D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.711900D+01 -0.118349D+02  0.226067D+01 -0.641987D+01  0.133091D+02
      2   0.652196D+01 -0.867309D+01  0.324238D+01 -0.436919D+01  0.767857D+01
      3  -0.289196D+01  0.539062D+00  0.824266D+00  0.547279D+01 -0.565962D+01
                 6             7             8             9            10 
      1  -0.207699D+01  0.990611D-01  0.261668D+01  0.353000D+01 -0.153772D+02
      2  -0.535236D+00  0.583925D+00 -0.782298D-01  0.247574D+01  0.959892D+01
      3   0.158017D+01 -0.159068D+01 -0.189017D+01 -0.252382D+01  0.240032D+02
                11            12            13            14            15 
      1   0.376640D+01 -0.309924D+02 -0.111778D+02  0.142180D+02 -0.166726D+02
      2   0.624091D+01 -0.300282D+01  0.313440D+01  0.671554D+01  0.200875D+01
      3  -0.109080D+02  0.316516D+02  0.195715D+02 -0.177794D+02  0.141611D+02
                16            17            18            19            20 
      1  -0.160607D+02 -0.547282D+01 -0.739485D+01  0.133090D+02  0.707201D+01
      2  -0.938842D+01  0.831845D+01  0.790005D+00 -0.157670D+01 -0.195132D+01
      3   0.231906D+02 -0.492356D+01  0.217940D+02 -0.227392D+02 -0.651340D+00
                21            22            23            24            25 
      1   0.157624D+02  0.128567D+02  0.111400D+02 -0.423221D+01  0.612419D+01
      2   0.363141D+01 -0.278133D+01 -0.783953D+01 -0.383549D+01 -0.711166D+01
      3  -0.253828D+02 -0.101479D+02 -0.246708D+02 -0.204722D-01 -0.195936D+02
                26            27            28            29            30 
      1  -0.163189D+01  0.223862D+02  0.263541D+01 -0.175307D+01  0.204544D+01
      2   0.610503D+01  0.521370D+01  0.260410D+00 -0.139555D+01 -0.490362D+00
      3   0.135030D+02 -0.308006D+02 -0.315599D+01  0.133998D+01 -0.390557D+01
                31            32            33            34            35 
      1   0.367892D+01  0.133619D+02  0.169020D+02  0.725292D+01  0.162753D+02
      2  -0.227318D+00  0.256460D+01  0.671377D+01 -0.367405D+01  0.112833D+01
      3  -0.111059D+01 -0.781088D+01 -0.133184D+02 -0.304985D+01 -0.970953D+01
                36            37            38            39            40 
      1   0.172823D+02  0.149080D+02  0.616816D+01  0.464526D+01  0.839793D+01
      2   0.263795D+01 -0.712571D+01 -0.282879D+01  0.124196D+01 -0.137078D+02
      3  -0.101450D+02 -0.257727D+02 -0.149299D+02 -0.904604D+01 -0.304303D+02
                41            42            43            44            45 
      1  -0.720085D+01  0.695490D+01  0.764701D+01  0.791519D+00  0.279016D+02
      2  -0.650488D+00 -0.337445D+00  0.228275D+00 -0.118233D+01  0.106432D+02
      3   0.911442D+01 -0.123535D+02 -0.195555D+02  0.223965D+02 -0.228379D+02
                46            47            48            49            50 
      1   0.855584D+01  0.808842D+00  0.785937D+01  0.230648D+01  0.800315D+00
      2  -0.977005D+01  0.509820D+00 -0.136951D+01  0.401756D+01 -0.129378D+01
      3  -0.156524D+02 -0.233882D+00 -0.116479D+02  0.719306D+00 -0.122980D+01
                51            52            53            54            55 
      1   0.416311D+01  0.108668D+02  0.238855D+01  0.100367D+02 -0.217123D+02
      2   0.319416D+01 -0.797503D+01  0.476966D+00 -0.267903D+01 -0.104828D+02
      3  -0.264217D+01 -0.161307D+02 -0.268137D+01 -0.134888D+02  0.145722D+02
                56            57            58            59            60 
      1   0.149524D+02 -0.156585D+02 -0.200757D+02  0.208737D+01 -0.220037D+02
      2   0.125887D+02  0.405269D+01  0.283504D+01  0.101742D+02 -0.212100D+01
      3  -0.248074D+02  0.180814D+02  0.286278D+02 -0.439649D+01  0.181133D+02
                61            62            63            64            65 
      1  -0.262766D+02  0.238033D+02 -0.269207D+02 -0.573367D+01  0.507340D+01
      2  -0.323375D+01  0.596586D+01 -0.160982D+02 -0.798802D+01  0.590595D+01
      3   0.556375D+02 -0.367350D+02  0.376874D+02 -0.853112D+01  0.205481D+01
                66            67            68            69            70 
      1   0.297238D+00  0.724533D+01 -0.884742D+01 -0.342309D+01  0.872534D+00
      2   0.522526D+00  0.914976D+01 -0.904510D+01 -0.214927D+01 -0.137646D+01
      3   0.268747D-01  0.834886D+01 -0.297165D+01  0.118377D+01 -0.102791D+01
                71            72            73            74            75 
      1  -0.299646D+01 -0.139843D+01  0.491281D+02 -0.221731D+02  0.486377D+02
      2  -0.777811D+00 -0.158074D+01  0.175987D+02 -0.584018D+01  0.154690D+02
      3   0.388318D+01  0.129611D+00 -0.841817D+02  0.457615D+02 -0.755994D+02
                76            77            78            79            80 
      1  -0.768855D+02 -0.325981D+02 -0.934871D+02 -0.221481D+01 -0.231408D+02
      2  -0.660015D+00 -0.213971D+02 -0.886261D+01 -0.425125D+01 -0.137816D+02
      3   0.125934D+03  0.426017D+01  0.144896D+03  0.165829D+02  0.318987D+02
                81            82            83            84            85 
      1  -0.152378D+02  0.412249D+02 -0.306644D+01  0.492824D+02  0.179878D+02
      2  -0.982187D+01  0.179676D+02  0.129418D+01  0.131331D+02  0.572468D+01
      3   0.307484D+02 -0.140463D+03  0.794525D+02 -0.776098D+02 -0.548405D+02
                86            87            88            89            90 
      1   0.251684D+02  0.233740D+02  0.599703D+02 -0.232797D+01  0.697537D+02
      2   0.152579D+02  0.669734D+01 -0.269808D+01  0.847227D+01  0.338488D+01
      3  -0.103132D+02 -0.532405D+02 -0.885926D+02  0.442339D+02 -0.109646D+03
                91            92            93            94            95 
      1  -0.475491D+02 -0.135359D+02 -0.530582D+02  0.358425D+02  0.455029D+01
      2   0.245812D+02 -0.164320D+02  0.170815D+02 -0.840901D+00  0.229001D+01
      3   0.912278D+02 -0.277739D+02  0.827452D+02 -0.593859D+02  0.228433D+01
                96            97            98            99           100 
      1   0.423413D+02  0.243294D+01 -0.957637D+01  0.282464D+01  0.156089D+02
      2  -0.424846D+01  0.524077D+01 -0.109839D+02 -0.222992D+01 -0.659479D+01
      3  -0.680232D+02  0.163642D+01  0.195802D+02  0.516897D+01 -0.324326D+02
               101           102           103           104           105 
      1   0.773623D+01  0.183703D+02  0.605968D+02 -0.363327D+02  0.315814D+02
      2   0.119883D+02 -0.196511D+01  0.892883D+01 -0.101061D+01  0.241778D+01
      3  -0.419177D+02 -0.385928D+02 -0.161925D+03  0.190932D+03 -0.738913D+02
               106           107           108           109           110 
      1   0.351870D+02 -0.695494D+00  0.261554D+02 -0.264685D+02 -0.156607D+02
      2  -0.171726D+02  0.148360D+01 -0.174874D+02  0.265258D+01 -0.169790D+02
      3  -0.831300D+02  0.110179D+03 -0.552371D+02  0.598292D+02  0.491355D+02
               111           112           113           114           115 
      1  -0.232443D+02 -0.908254D+02  0.624006D+02 -0.503889D+02 -0.486217D+02
      2  -0.666846D+01 -0.162402D+02  0.210178D+02 -0.507585D+01 -0.242378D+02
      3   0.533304D+02  0.230918D+03 -0.297139D+03  0.123152D+03  0.112466D+03
               116           117           118           119           120 
      1   0.290103D+02 -0.341128D+02 -0.587414D+02  0.413088D+02 -0.419399D+02
      2   0.119478D+02 -0.770952D+01 -0.114431D+02  0.104671D+02 -0.355113D+01
      3  -0.945539D+02  0.673474D+02  0.182586D+03 -0.188266D+03  0.982008D+02
               121           122           123           124           125 
      1   0.262381D+02 -0.295351D+02  0.135630D+02 -0.342056D+02  0.167897D+02
      2   0.107820D+02 -0.144144D+02  0.429975D+01 -0.171531D+02  0.106677D+02
      3  -0.560416D+02  0.118610D+03 -0.304953D+02  0.670863D+02 -0.760714D+02
               126           127           128           129           130 
      1  -0.494903D+02  0.402693D+02 -0.680251D+02  0.133031D+02 -0.621247D+01
      2  -0.947284D+01  0.910732D+01 -0.331254D+02  0.421686D+01 -0.100020D+02
      3   0.494094D+02 -0.608188D+02  0.332722D+03 -0.224861D+02  0.761776D+02
               131           132           133           134           135 
      1  -0.154118D+02 -0.576360D+00  0.501118D+01 -0.582222D+01 -0.499798D+01
      2  -0.168592D+02 -0.180572D+01 -0.190784D+02 -0.143197D+02 -0.694427D+01
      3   0.728942D+02  0.213218D+02  0.249396D+02  0.128612D+03  0.292296D+01
               136           137           138           139           140 
      1  -0.424261D+02  0.861178D+02 -0.156283D+02  0.615452D+01  0.161366D+02
      2  -0.928598D+01  0.631442D+02 -0.557794D+01  0.209072D+02  0.192504D+02
      3   0.649876D+02 -0.439464D+03  0.337925D+02 -0.596201D+02 -0.894217D+02
               141           142           143           144           145 
      1   0.864416D+00 -0.112339D+02  0.549294D+02 -0.515041D+00 -0.150392D+02
      2   0.627175D+01  0.342186D+00  0.276735D+02  0.133284D+01 -0.104175D+02
      3  -0.155435D+02 -0.581965D+01 -0.148505D+03  0.336938D+01  0.477498D+02
               146           147           148           149           150 
      1   0.580753D+01 -0.155766D+02  0.306877D+02 -0.633529D+02  0.241527D+02
      2   0.100689D+02  0.755133D+01 -0.752627D+01 -0.444073D+02 -0.759407D+01
      3  -0.699686D+02  0.180586D+02 -0.221189D+02  0.237832D+03 -0.276793D+02
               151           152           153           154           155 
      1  -0.121363D+02  0.973887D+01 -0.103044D+02  0.523081D+02 -0.204656D+02
      2   0.101659D+02 -0.755529D+01  0.833695D+01  0.190832D+02 -0.194740D+02
      3   0.265126D+00  0.420503D+02  0.129930D+02 -0.116265D+03  0.103343D+03
               156           157           158           159           160 
      1   0.378724D+02 -0.193901D+02  0.296292D+02 -0.204396D+02  0.987893D+01
      2   0.315927D+01 -0.294272D+01  0.838088D+01  0.408145D+01 -0.846188D+01
      3  -0.690618D+02  0.418863D+02 -0.119466D+03  0.313911D+02 -0.414034D+02
               161           162           163           164           165 
      1  -0.803132D+01  0.843936D+01 -0.113524D+02 -0.359168D+02  0.186465D+01
      2   0.256868D+02  0.952325D+01 -0.106144D+02 -0.115292D+02 -0.119969D+01
      3   0.144727D+02 -0.503737D+02  0.142334D+03  0.149471D+03 -0.989310D-01
               166           167           168           169           170 
      1  -0.992091D+00  0.340607D+02  0.187840D+01 -0.655497D+01  0.358553D+02
      2   0.177534D+02  0.245210D+02  0.176438D+01 -0.179853D+02  0.136998D+02
      3  -0.110181D+03 -0.219077D+03 -0.180739D+02 -0.931667D+01 -0.794983D+02
               171           172           173           174           175 
      1  -0.504488D+01  0.219048D+02  0.353907D+02  0.178528D+01 -0.236322D+01
      2   0.208514D+01  0.398965D+02  0.241607D+02 -0.272385D-01 -0.111614D+02
      3  -0.140180D+01 -0.217960D+03 -0.194337D+03 -0.135664D+01  0.152614D+03
               176           177           178           179           180 
      1  -0.622881D+02  0.384381D+01  0.107871D+02  0.307087D-01  0.143485D+01
      2  -0.496443D+02 -0.241413D+01 -0.107060D+02 -0.231788D+02 -0.619066D+01
      3   0.350439D+03  0.108165D+02  0.113595D+02  0.847392D+02  0.390934D+01
               181           182           183           184           185 
      1  -0.178760D+02 -0.206373D+02  0.205366D+00 -0.306887D+01 -0.362792D+02
      2  -0.250254D+02 -0.858889D+01  0.351270D+01 -0.172496D+02 -0.165136D+02
      3   0.122703D+03  0.901971D+02 -0.468917D+01  0.767630D+02  0.180146D+03
               186           187           188           189           190 
      1  -0.251884D+01  0.124480D+02 -0.316101D+01 -0.329972D+01  0.882586D+01
      2  -0.964846D+01 -0.230881D+01 -0.374211D+02 -0.106683D+02  0.325886D+01
      3  -0.135904D+02  0.286981D+02  0.496128D+02  0.176655D+02 -0.453029D+02
               191           192           193           194           195 
      1  -0.105358D+02  0.307490D+01 -0.210703D+02  0.446872D+02 -0.503941D+01
      2  -0.725623D+01  0.950653D+01 -0.117677D+02  0.369629D+02  0.231246D+01
      3   0.338303D+02 -0.800937D+01 -0.478971D+01 -0.266308D+03  0.273534D+02
               196           197           198           199           200 
      1   0.867412D+00  0.311333D+02  0.608756D+01  0.521084D+01  0.146020D+02
      2   0.175482D+02  0.202425D+02  0.117866D+02 -0.669364D+01 -0.529318D+01
      3  -0.662538D+01 -0.409079D+02 -0.146806D+02 -0.519762D+02 -0.365599D+02
               201           202           203           204           205 
      1   0.641130D+00 -0.246527D+00  0.112149D+02 -0.949969D+00 -0.186998D+01
      2  -0.911153D+00  0.138389D+02  0.637492D+00 -0.215704D+01 -0.674619D+01
      3  -0.188443D+01 -0.185291D+03 -0.459166D+02  0.411190D+02 -0.810150D+02
               206           207           208           209           210 
      1   0.201354D+02  0.314625D+01  0.518922D+01  0.336429D+02  0.132619D+02
      2  -0.784598D+00  0.339996D+01  0.227056D+02  0.285254D+02  0.630933D+01
      3  -0.424768D+02  0.150606D+02 -0.186161D+03 -0.200292D+03  0.120070D+02
               211           212           213           214           215 
      1  -0.562204D+01  0.337828D+02 -0.170416D+01  0.289771D+02  0.161276D+02
      2   0.114697D+02  0.382365D+02  0.108100D+01  0.692748D+00 -0.326915D+01
      3  -0.107941D+03 -0.228735D+03  0.211927D+01 -0.236385D+02 -0.492620D+02
               216           217           218           219           220 
      1  -0.486421D+01 -0.525391D+01 -0.326702D+02 -0.909262D+01  0.431318D+01
      2  -0.314600D+00 -0.338477D+02 -0.135001D+02  0.100580D+01  0.870082D+01
      3  -0.210267D+02  0.274485D+03  0.138133D+03 -0.425002D+02 -0.319708D+02
               221           222           223           224           225 
      1   0.623243D+01 -0.732077D+01 -0.130227D+02 -0.175601D+02 -0.982973D+01
      2  -0.641188D+01 -0.352977D+01 -0.188098D+02 -0.137319D+02 -0.701156D+01
      3   0.494806D+02  0.923186D+01 -0.313302D+02  0.731935D+01  0.384883D+02
               226           227           228           229           230 
      1   0.851211D+00  0.523868D+00 -0.131624D+01  0.702909D+01 -0.235157D+02
      2  -0.443005D+01 -0.154729D+02 -0.357041D+01 -0.298636D+02 -0.170869D+01
      3  -0.376770D+02  0.746806D+02  0.192820D+02  0.296818D+03  0.706415D+02
               231           232           233           234           235 
      1   0.268859D+01 -0.738063D+00  0.120101D+00 -0.370775D+01 -0.348829D+01
      2   0.751969D+01 -0.304359D+02 -0.495885D+01  0.597851D+01  0.103754D+02
      3  -0.667278D+02  0.974871D+02  0.188158D+02 -0.224941D+02 -0.592727D+02
               236           237           238           239           240 
      1   0.195493D+01  0.265557D+01  0.988240D+00  0.316955D+01 -0.556219D+01
      2   0.149395D+02 -0.220388D+01  0.161268D+01 -0.366395D+01  0.194203D+01
      3  -0.738137D+02  0.659365D+01  0.278111D+02  0.341455D+01 -0.114791D+01
               241           242           243           244           245 
      1  -0.776256D+01 -0.825830D+01 -0.907472D+01 -0.800604D+00 -0.501060D+01
      2  -0.177899D+02  0.354964D+01  0.102621D+02 -0.411084D+01 -0.431660D+01
      3   0.276184D+02  0.255208D+02 -0.134167D+01  0.623221D+02  0.237114D+02
               246           247           248           249           250 
      1  -0.962528D+01  0.140842D+02  0.172514D+01 -0.137579D+01 -0.133324D+02
      2   0.870940D+01 -0.779019D+00 -0.145398D+01 -0.295714D+01  0.519241D+01
      3  -0.684000D+01  0.454456D+01 -0.176165D+02 -0.991840D+01 -0.319502D+01
               251           252           253           254           255 
      1   0.646751D+01  0.863125D+01  0.716175D+01  0.917157D+00 -0.388893D+01
      2   0.726153D+01 -0.518635D+01 -0.214075D+02 -0.133314D+01 -0.649741D+00
      3  -0.208122D+02  0.178077D+02  0.125363D+03  0.221007D+02 -0.437848D+02
               256           257           258           259           260 
      1   0.483981D+01 -0.118552D+02 -0.431332D+01 -0.103283D+02  0.801600D+01
      2  -0.230515D+01  0.416065D+01  0.680738D+01 -0.129614D+02 -0.281879D+01
      3   0.419299D+01  0.539904D+01 -0.138640D+02 -0.209355D+02 -0.161279D+02
               261           262           263           264           265 
      1   0.872925D+01 -0.942452D+01  0.253132D+01  0.445205D+01 -0.447959D+01
      2   0.846987D+01  0.837233D+01  0.796309D+01  0.158326D+01  0.404078D+01
      3   0.111465D+02 -0.120988D+03 -0.260698D+02  0.395178D+02 -0.175153D+01
               266           267           268           269           270 
      1  -0.236339D+01  0.280812D+00  0.236291D+01  0.625691D+01  0.348854D+01
      2  -0.110731D+01 -0.354111D+01 -0.121314D+02 -0.472484D+01 -0.275887D+01
      3   0.166896D+02  0.560283D+01 -0.799005D+00 -0.590895D+01  0.886830D+01
               271           272           273           274           275 
      1   0.220195D+01 -0.222580D+01  0.574801D+01  0.361909D+01 -0.399274D+01
      2   0.131243D+01 -0.111552D+01  0.285797D+01 -0.232070D+00  0.110719D+01
      3  -0.174274D+02  0.167924D+02 -0.222041D+01  0.154845D+02 -0.194453D+02
               276           277           278           279           280 
      1  -0.222174D+01  0.247310D+01  0.708857D+00 -0.283907D+00 -0.543277D+01
      2  -0.101203D+01  0.864155D+00  0.177484D+00  0.141599D+00 -0.123473D+01
      3  -0.564111D+01 -0.889948D+01  0.906450D+00 -0.498415D+01  0.634256D+01
               281           282           283           284           285 
      1  -0.132326D+01 -0.685979D+01 -0.980581D+00 -0.118915D+02 -0.126549D+02
      2   0.232204D+00 -0.247545D+00 -0.105773D+01  0.140218D+01  0.199341D+01
      3  -0.305441D+01  0.661026D+01  0.855568D+00 -0.270696D+01 -0.246725D+01
               286           287           288           289           290 
      1  -0.836154D+00 -0.868959D+01 -0.591972D+01 -0.846103D+01  0.425721D+00
      2  -0.210896D+01  0.572636D+00  0.967985D+00  0.156141D+01  0.937362D+00
      3   0.694036D+01  0.299980D+01  0.255657D-01  0.132669D+02 -0.291410D+01
               291           292           293           294           295 
      1  -0.554738D+01 -0.335104D-01 -0.202407D+01 -0.161635D+01 -0.124070D+01
      2   0.716310D+01  0.388126D+01 -0.112536D+01  0.274470D+01 -0.131993D+01
      3   0.602062D+01 -0.612654D+01  0.772128D+01 -0.633515D+00  0.441508D+01
               296           297           298           299           300 
      1  -0.158675D+01 -0.447400D+00  0.680611D+00 -0.345654D+01 -0.926141D+00
      2   0.114317D+01  0.253432D+01  0.283786D+01  0.183560D+01  0.343193D+01
      3   0.981721D+00 -0.154020D+01 -0.655811D+01  0.294448D+01 -0.494449D+01
               301           302           303           304           305 
      1  -0.119636D+01  0.303307D+00 -0.509415D+01  0.488943D+00  0.212188D+01
      2   0.151750D+01  0.123625D+02  0.807930D+01  0.188800D+01  0.265845D+01
      3  -0.171441D+01 -0.266000D+02 -0.119230D+02 -0.555880D+01 -0.898488D+01
               306           307           308           309           310 
      1  -0.355387D+01 -0.342608D+01  0.423787D+00  0.262945D+01  0.328422D+01
      2   0.443854D+01 -0.370273D+01 -0.648198D-01  0.429524D+01  0.374937D+01
      3  -0.439829D+01  0.128174D+02 -0.565925D+01  0.578902D+00 -0.955768D+01
               311           312           313           314           315 
      1  -0.452532D+01 -0.350090D+01  0.212109D+00  0.670502D+00 -0.225477D+00
      2  -0.659327D+01 -0.447529D+01 -0.319358D+00  0.175239D+01 -0.413105D+00
      3   0.225179D+02  0.324803D+01 -0.120860D+01  0.722259D+01 -0.237350D+01
               316           317           318           319           320 
      1   0.144888D+01  0.681478D+00  0.308182D+00  0.104297D+01  0.266988D+01
      2   0.730924D+01  0.269042D+00  0.848694D+01  0.445092D+01  0.419833D+01
      3  -0.156762D+02 -0.310353D+01 -0.423210D+01 -0.801957D+01 -0.118338D+02
               321           322           323           324           325 
      1   0.176989D+00  0.189246D+00  0.565102D+00 -0.720356D+00 -0.168898D+01
      2   0.258379D+01 -0.280388D+00 -0.155581D+01  0.184572D+01  0.256302D+01
      3  -0.409115D+01 -0.728341D+01 -0.450189D+01  0.175792D+01 -0.168300D+02
               326           327           328           329           330 
      1   0.234210D+01  0.405625D+01  0.411003D+01 -0.129440D+01 -0.463621D+01
      2   0.388562D+00  0.332806D+01  0.185092D+01  0.298892D+00 -0.303073D+01
      3  -0.959195D+00  0.175248D+01 -0.775880D+00 -0.427326D+01 -0.203155D+01
               331           332           333           334           335 
      1  -0.289766D+01 -0.792001D+00 -0.121706D+01 -0.106789D+01 -0.146739D+01
      2  -0.164327D+01 -0.276889D+00 -0.125529D+01 -0.270834D+01 -0.258448D+01
      3  -0.187675D+01 -0.688520D+01  0.397048D+01  0.131424D+02  0.127843D+02
               336           337           338           339           340 
      1  -0.140263D+01 -0.120834D+01 -0.771339D+01 -0.842459D+01  0.288771D+01
      2   0.205223D-01 -0.160931D+01 -0.708110D+01 -0.241430D+01  0.609555D+00
      3   0.145504D+01  0.519828D+01  0.251979D+02  0.904576D+01 -0.178656D+01
               341           342           343           344           345 
      1   0.219701D+01 -0.277915D+01 -0.152294D+01 -0.121904D+01 -0.162573D+01
      2  -0.106751D+01 -0.264374D+00  0.985075D+00  0.459576D-01  0.639158D+00
      3   0.771454D+01 -0.454212D+00 -0.162312D+00  0.249326D+01  0.192363D+01
               346           347           348           349           350 
      1  -0.280101D+01 -0.740179D+01 -0.818727D+01 -0.685996D+00 -0.141467D+01
      2   0.884624D-01  0.393139D+01  0.272927D+01 -0.851659D+00  0.426843D+00
      3   0.485824D+01 -0.217205D+01 -0.341976D+00  0.267515D+01 -0.334104D+01
               351           352           353           354           355 
      1  -0.278215D+01 -0.281994D+00 -0.256912D+00 -0.308042D+01 -0.252562D+01
      2   0.681811D+00 -0.113252D+01 -0.433245D+00  0.456083D+01  0.266468D+01
      3  -0.163203D+00  0.284571D+02  0.726880D+01 -0.154993D+01  0.508430D+01
               356           357           358           359           360 
      1  -0.128909D+01 -0.110891D+01  0.646897D+00  0.219177D+00 -0.703443D+00
      2   0.979376D+00  0.115646D+01 -0.144304D+01 -0.651296D+00  0.667417D+00
      3   0.282106D+01  0.214209D+01 -0.404101D+01  0.965231D+00 -0.385746D-01
               361           362           363           364           365 
      1   0.354824D+01 -0.543917D+01 -0.107721D+01 -0.185519D+01  0.899099D+01
      2   0.574627D+01  0.966499D+00  0.157604D+02 -0.352412D+01 -0.617475D+01
      3   0.100094D+02 -0.321381D+02  0.178873D+01  0.642661D+01  0.300593D+02
               366           367           368           369           370 
      1  -0.419960D+01 -0.767545D+01  0.147921D+02  0.687574D+01  0.103575D+01
      2  -0.394755D+01 -0.515152D+00 -0.529442D+01 -0.115766D+02 -0.208868D+01
      3   0.634698D+01  0.975058D+01  0.153908D+02  0.153144D+02  0.202961D+01
               371           372           373           374           375 
      1   0.442683D+01 -0.477671D+00  0.150743D+01  0.790921D+01 -0.153273D+01
      2  -0.212023D+01 -0.542738D+00 -0.225060D+01 -0.373268D+01 -0.706221D+00
      3   0.414047D+01 -0.875181D+00  0.831684D+01  0.158179D+02 -0.272437D+01
               376           377           378 
      1   0.680983D+00  0.432426D+01  0.199477D+00
      2  -0.207480D+01 -0.172918D+01 -0.376201D+00
      3  -0.334692D+01  0.777274D+00  0.436412D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.292394D+01 -0.377195D+01  0.224695D+01  0.160241D+01 -0.371946D-01
      2  -0.246821D+01  0.221380D+01  0.279118D+01  0.194447D+01 -0.184704D+01
      3  -0.455734D+00  0.155815D+01 -0.503812D+01 -0.354688D+01  0.188423D+01
      4   0.335978D+00 -0.984143D+00  0.887440D+00  0.580404D-01 -0.197339D+00
      5  -0.838060D+01  0.855523D+01  0.277677D+01  0.798309D+01 -0.903389D+01
      6   0.408457D+01 -0.593855D+01 -0.452823D+00 -0.314147D+01  0.722732D+01
                 6             7             8             9            10 
      1  -0.317647D+01  0.140860D+01 -0.366945D+01 -0.209156D+00 -0.146768D+02
      2  -0.464125D+01  0.158351D+01 -0.175502D+01 -0.186641D+01  0.170694D+02
      3   0.781772D+01 -0.299211D+01  0.542446D+01  0.207556D+01 -0.239262D+01
      4   0.813422D+00  0.191925D+01  0.507673D+00  0.309530D+00  0.230089D+02
      5  -0.433910D+01  0.177476D+01 -0.174500D+01 -0.438831D+01 -0.268496D+02
      6   0.299845D+01 -0.516936D+00  0.303521D+01  0.426828D+01  0.127118D+02
                11            12            13            14            15 
      1   0.143227D+02  0.116083D+02 -0.156401D+02  0.969927D+01 -0.984029D+01
      2   0.514418D+00  0.351263D+02  0.194891D+02 -0.486416D+01  0.157613D+02
      3  -0.148371D+02 -0.467346D+02 -0.384901D+01 -0.483511D+01 -0.592102D+01
      4   0.249430D+01  0.817379D+01  0.811785D+01  0.181782D+02  0.845045D+01
      5   0.710960D+01  0.360376D+01 -0.147684D+02  0.132353D+01 -0.726896D+00
      6  -0.539966D+01  0.167105D+02  0.135273D+02  0.587613D+01  0.131708D+02
                16            17            18            19            20 
      1  -0.140400D+02  0.891838D+01 -0.334112D+01  0.232004D+02 -0.201146D+02
      2   0.363753D+02 -0.900106D+01  0.302733D+02 -0.200106D+02  0.114561D+02
      3  -0.223353D+02  0.826756D-01 -0.269322D+02 -0.318983D+01  0.865850D+01
      4   0.158234D+02  0.186384D+01  0.273969D+02 -0.280276D+02  0.538280D+01
      5  -0.148579D+02  0.172664D+02 -0.253079D+02  0.257430D+02 -0.226380D+02
      6   0.261461D+02 -0.113140D+02  0.234507D+02 -0.225645D+02  0.156021D+02
                21            22            23            24            25 
      1   0.172319D+02 -0.105796D+01  0.229401D+02  0.107380D+02  0.583245D+01
      2   0.210208D+01 -0.144344D+02 -0.130003D+02 -0.626823D+01 -0.208089D+02
      3  -0.193340D+02  0.154924D+02 -0.993980D+01 -0.446980D+01  0.149765D+02
      4  -0.204320D+02  0.145070D+02 -0.269891D+01  0.185335D+01 -0.175382D+02
      5   0.329964D+01  0.108363D+02  0.123134D+02  0.159910D+02  0.238030D+02
      6  -0.232744D+01  0.852204D+01 -0.111073D+02 -0.563011D+01 -0.216935D+02
                26            27            28            29            30 
      1  -0.118232D+01 -0.223130D+02 -0.174951D+01  0.173298D+00 -0.278065D+01
      2   0.128898D+02 -0.451226D+02 -0.809275D+01 -0.142171D+01 -0.101768D+02
      3  -0.117074D+02  0.674356D+02  0.984227D+01  0.124841D+01  0.129574D+02
      4  -0.296635D+01 -0.180405D+02  0.461637D+00  0.251437D+01  0.768882D+00
      5  -0.165648D+02  0.873128D+01  0.680868D+01  0.398217D+01  0.128801D+02
      6   0.343249D+01 -0.455452D+02  0.134543D+01  0.180423D+01 -0.159906D+01
                31            32            33            34            35 
      1  -0.389914D+01 -0.132595D+02 -0.229321D+02 -0.464918D+01 -0.111726D+02
      2  -0.599295D+01 -0.128156D+02 -0.268855D+02 -0.105059D+02 -0.153204D+02
      3   0.989209D+01  0.260752D+02  0.498176D+02  0.151550D+02  0.264931D+02
      4   0.446301D+01  0.742444D+01  0.944121D+01  0.383091D+01  0.594307D+01
      5   0.522344D+01  0.665182D+01  0.904401D+01  0.106374D+02  0.849567D+01
      6   0.681321D+01  0.173939D+02  0.205881D+02  0.648236D+01  0.124587D+02
                36            37            38            39            40 
      1  -0.248649D+02  0.151092D+01  0.138233D+02 -0.892412D+01  0.343164D+02
      2  -0.332880D+02 -0.501901D+01 -0.218362D+02 -0.848249D+01 -0.219951D+02
      3   0.581529D+02  0.350809D+01  0.801296D+01  0.174066D+02 -0.123212D+02
      4   0.974849D+01  0.298966D+01  0.808290D+01  0.678917D+01 -0.355139D+02
      5   0.178702D+02 -0.599439D+01  0.149431D+02 -0.121173D+01  0.197275D+02
      6   0.215517D+02  0.101077D+02 -0.112342D+01  0.682169D+01 -0.244866D+02
                41            42            43            44            45 
      1  -0.206125D+02  0.134019D+02 -0.167471D+02 -0.427072D+00 -0.450950D+02
      2   0.102504D+02  0.142755D+02  0.391481D+00  0.538345D+01 -0.136493D+02
      3   0.103622D+02 -0.276774D+02  0.163556D+02 -0.495638D+01  0.587443D+02
      4   0.882057D+01 -0.182308D+02 -0.308962D+02  0.183623D+02 -0.226993D+02
      5  -0.224607D+02 -0.291324D+01  0.556177D+01 -0.193031D+02  0.108239D+02
      6   0.199820D+02  0.306026D+01 -0.350705D+02  0.370611D+02 -0.474407D+02
                46            47            48            49            50 
      1   0.253102D+02 -0.122892D+01  0.980612D+01 -0.396701D+01  0.806256D+00
      2  -0.452669D+02  0.584122D+01 -0.367599D+02 -0.203536D+01 -0.290836D+01
      3   0.199567D+02 -0.461230D+01  0.269538D+02  0.600237D+01  0.210210D+01
      4  -0.253501D+02  0.900750D+01 -0.193042D+02  0.971100D+01 -0.369014D+01
      5   0.651763D+02 -0.106633D+02  0.539747D+02 -0.246236D+01  0.727935D+01
      6  -0.252387D+02  0.967829D+01 -0.241079D+02  0.742558D+01 -0.372747D+01
                51            52            53            54            55 
      1  -0.375005D+01  0.132341D+02  0.207270D+00  0.616890D+01  0.169420D+02
      2  -0.650081D+01 -0.375181D+02  0.147650D+01 -0.361632D+02 -0.573811D+01
      3   0.102509D+02  0.242840D+02 -0.168377D+01  0.299943D+02 -0.112039D+02
      4   0.627916D+01 -0.127700D+02  0.410291D+01 -0.115731D+02  0.191259D+02
      5   0.176234D+01  0.489306D+02 -0.446479D+01  0.469987D+02 -0.370349D+01
      6   0.461908D+01 -0.151368D+02  0.549783D+01 -0.152798D+02  0.173915D+02
                56            57            58            59            60 
      1   0.889387D+01  0.123171D+02  0.180606D+01 -0.163758D+02  0.176306D+02
      2  -0.724557D+01 -0.786982D+01  0.256234D+02  0.571147D+00  0.503851D+01
      3  -0.164830D+01 -0.444724D+01 -0.274294D+02  0.158047D+02 -0.226691D+02
      4  -0.139637D+02  0.172796D+02  0.106848D+02 -0.244920D+00  0.263694D+02
      5   0.138866D+02  0.620174D+01 -0.244658D+02  0.196597D+02 -0.210296D+02
      6  -0.229631D+02  0.980141D+01  0.281894D+02 -0.362260D+02  0.417941D+02
                61            62            63            64            65 
      1  -0.184331D+02  0.269468D+02  0.144001D+02  0.128196D+02 -0.411481D+01
      2   0.315377D+02 -0.294827D+02  0.127972D+02  0.119106D+02 -0.170720D+02
      3  -0.131045D+02  0.253590D+01 -0.271973D+02 -0.247302D+02  0.211868D+02
      4   0.377697D+02  0.365603D+01  0.174971D+02 -0.472261D+02  0.427191D+02
      5  -0.196695D+02  0.158760D+02 -0.925663D+01  0.153672D+02 -0.132175D+02
      6   0.265136D+02 -0.605651D+00  0.152991D+02 -0.201662D+02  0.218841D+02
                66            67            68            69            70 
      1  -0.126251D+00 -0.607006D+01 -0.190158D+01  0.158840D+01  0.196513D+01
      2   0.245146D+01 -0.206080D+02  0.318681D+02 -0.361851D+01 -0.388277D+01
      3  -0.232521D+01  0.266780D+02 -0.299665D+02  0.203011D+01  0.191764D+01
      4  -0.949424D+01  0.447488D+02 -0.475487D+02  0.548052D+01 -0.501404D+00
      5   0.711283D+01 -0.958357D+01  0.932979D+01 -0.442656D+01  0.620444D+01
      6  -0.900771D+01  0.178757D+02 -0.220659D+02  0.698939D+01 -0.517325D+01
                71            72            73            74            75 
      1  -0.213246D+01 -0.152197D+00 -0.229986D+02 -0.109157D+02 -0.219539D+02
      2   0.762370D+01  0.273054D+01 -0.214884D+02  0.112526D+02 -0.242738D+02
      3  -0.549124D+01 -0.257834D+01  0.444870D+02 -0.336854D+00  0.462276D+02
      4  -0.331553D+01 -0.575377D+01 -0.488873D+02  0.108300D+02 -0.346388D+02
      5  -0.429052D+01  0.194547D+01  0.209051D+02 -0.139416D+02  0.172585D+02
      6   0.307239D+01 -0.226976D+01 -0.399040D+02  0.381217D+01 -0.314483D+02
                76            77            78            79            80 
      1   0.381841D+02 -0.347677D+02  0.224718D+02  0.227846D+01 -0.118379D+02
      2   0.422906D+02  0.555436D+02  0.834327D+02  0.985165D+01  0.250876D+02
      3  -0.804747D+02 -0.207759D+02 -0.105904D+03 -0.121301D+02 -0.132497D+02
      4   0.453825D+02 -0.284415D+02  0.432964D+02 -0.282400D+01 -0.762202D+01
      5  -0.397469D+02 -0.675378D+01 -0.404116D+02 -0.502413D+01 -0.117591D+02
      6   0.552618D+02 -0.116181D+00  0.638504D+02  0.283848D+01  0.167489D+02
                81            82            83            84            85 
      1  -0.763452D+01 -0.505566D+02  0.818541D+02 -0.892064D+01 -0.183680D+02
      2   0.405271D+02 -0.482689D+01 -0.796685D+02 -0.338268D+02 -0.117578D+02
      3  -0.328926D+02  0.553835D+02 -0.218555D+01  0.427474D+02  0.301258D+02
      4  -0.116498D+01 -0.439085D+02  0.178048D+02 -0.195783D+02 -0.239107D+02
      5  -0.175756D+02  0.108027D+02  0.121282D+02  0.255311D+02  0.100390D+02
      6   0.111550D+02 -0.192829D+02 -0.114480D+02 -0.477136D+02 -0.979966D+01
                86            87            88            89            90 
      1  -0.575323D+01  0.497262D+01 -0.470425D+02  0.817678D+02 -0.292603D+02
      2  -0.869832D+00 -0.484151D+02  0.108122D+01 -0.104496D+03 -0.241944D+02
      3   0.662306D+01  0.434425D+02  0.459613D+02  0.227283D+02  0.534547D+02
      4   0.297480D+02 -0.611532D+01 -0.164886D+02  0.133847D+02 -0.271425D+02
      5   0.704596D+01  0.175597D+02  0.274244D+02  0.862250D+01  0.211251D+02
      6  -0.224211D+02 -0.109823D+02 -0.443705D+02  0.285255D+02 -0.569734D+02
                91            92            93            94            95 
      1   0.650631D+02 -0.278217D+02  0.380114D+02 -0.564730D+01  0.237902D+01
      2   0.187853D+02  0.312435D+02  0.500446D+02 -0.491546D+02 -0.145157D+02
      3  -0.838484D+02 -0.342177D+01 -0.880560D+02  0.548019D+02  0.121367D+02
      4   0.617762D+02 -0.284635D+02  0.463299D+02 -0.337954D+02  0.509874D+00
      5  -0.359704D+02 -0.543665D+01 -0.290730D+02  0.261693D+02 -0.653039D+01
      6   0.547703D+02 -0.450656D+01  0.595985D+02 -0.464304D+02 -0.331895D+00
                96            97            98            99           100 
      1  -0.646189D+01  0.319964D+02 -0.211622D+02  0.231988D+02 -0.372334D+02
      2  -0.614839D+02 -0.180764D+02  0.122689D+02 -0.827808D+01 -0.111122D+02
      3   0.679458D+02 -0.139200D+02  0.889328D+01 -0.149207D+02  0.483456D+02
      4  -0.412315D+02  0.995474D+01 -0.280213D+02  0.581205D+01 -0.329688D+02
      5   0.330397D+02 -0.454737D+00 -0.325652D+01 -0.447665D+01  0.290631D+01
      6  -0.481083D+02  0.491518D+01 -0.438190D+01  0.521051D+01 -0.264337D+02
               101           102           103           104           105 
      1  -0.147261D+02 -0.226003D+02 -0.113007D+03  0.153444D+03 -0.699199D+02
      2   0.961162D+00 -0.214246D+02  0.533382D+02 -0.118596D+03  0.293819D+02
      3   0.137650D+02  0.440249D+02  0.596686D+02 -0.348478D+02  0.405380D+02
      4   0.392856D+02 -0.236418D+02 -0.563235D+02 -0.225954D+02 -0.438367D+02
      5   0.170717D+02  0.142705D+02 -0.162601D+01 -0.345859D+02 -0.285371D+01
      6   0.692528D+00 -0.257552D+02 -0.545828D+02  0.158336D+02 -0.294078D+02
               106           107           108           109           110 
      1  -0.868190D+02  0.668544D+02 -0.465853D+02 -0.125273D+02  0.552727D+02
      2   0.272993D+02 -0.502658D+02 -0.543245D+01  0.498477D+02 -0.667769D+02
      3   0.595197D+02 -0.165886D+02  0.520177D+02 -0.373204D+02  0.115042D+02
      4  -0.418975D+02  0.979297D+01 -0.327142D+02  0.622459D+02  0.379783D+02
      5   0.548816D+01 -0.504392D+01 -0.210684D+01  0.139531D+02  0.180300D+02
      6  -0.398964D+02  0.532729D+01 -0.362254D+02  0.402655D+02 -0.106201D+02
               111           112           113           114           115 
      1   0.318175D+02  0.144317D+03 -0.183692D+03  0.792329D+02  0.613535D+02
      2  -0.225923D+01 -0.708328D+02  0.153608D+03 -0.185514D+02 -0.124521D+02
      3  -0.295583D+02 -0.734847D+02  0.300841D+02 -0.606815D+02 -0.489013D+02
      4   0.456135D+02  0.591855D+02 -0.124763D+02  0.377436D+02  0.452989D+02
      5   0.896873D+01 -0.566841D+01  0.249052D+02 -0.122043D+01  0.244200D+01
      6   0.223827D+02  0.537277D+02 -0.179210D+02  0.346823D+02  0.423942D+02
               116           117           118           119           120 
      1  -0.478054D+02  0.345987D+02  0.984253D+02 -0.143807D+03  0.445662D+02
      2   0.195919D+02 -0.162513D+01 -0.442921D+02  0.156454D+03  0.101780D+00
      3   0.282135D+02 -0.329735D+02 -0.541332D+02 -0.126462D+02 -0.446680D+02
      4  -0.714304D+01  0.426625D+02  0.520566D+02 -0.483400D+02  0.146147D+02
      5   0.255977D+02  0.230412D+00 -0.194916D+02 -0.105872D+02 -0.178304D+02
      6   0.392841D+01  0.353467D+02  0.239036D+02 -0.322739D+02  0.263779D+02
               121           122           123           124           125 
      1  -0.559743D+02  0.778779D+02 -0.153160D+02  0.489784D+02 -0.399763D+02
      2   0.499234D+02 -0.559254D+02  0.371356D+01 -0.354826D+02  0.348929D+02
      3   0.605082D+01 -0.219525D+02  0.116025D+02 -0.134957D+02  0.508342D+01
      4   0.104572D+02  0.301145D+02 -0.234802D+01  0.167515D+02 -0.389414D+02
      5   0.603511D+01 -0.871148D+01  0.633696D+01  0.106290D+00 -0.670790D+01
      6  -0.119455D+02 -0.114686D+02 -0.155964D+02  0.229353D+02 -0.688571D+01
               126           127           128           129           130 
      1   0.111590D+02 -0.113531D+03  0.128127D+03 -0.371968D+02 -0.176997D+02
      2   0.117206D+01  0.736303D+02 -0.521013D+02  0.286722D+02  0.143307D+02
      3  -0.123310D+02  0.399008D+02 -0.760262D+02  0.852452D+01  0.336902D+01
      4   0.872146D+01 -0.748790D+01 -0.140449D+03 -0.747278D+01  0.147017D+01
      5  -0.175027D+02 -0.125347D+02 -0.916572D+02 -0.356547D+01 -0.102348D+02
      6   0.511661D+02 -0.164979D+02  0.512142D+00 -0.645331D+01  0.211950D+02
               131           132           133           134           135 
      1  -0.561786D+02  0.123724D+02 -0.316520D+02  0.201415D+02 -0.135274D+02
      2   0.597973D+02 -0.197200D+02  0.263087D+02  0.613412D+01  0.464849D+01
      3  -0.361873D+01  0.734766D+01  0.534326D+01 -0.262756D+02  0.887889D+01
      4  -0.470696D+02  0.126110D+02  0.625101D+01 -0.553348D+02  0.142249D+00
      5  -0.346931D+02  0.599731D+01 -0.120192D+02 -0.378714D+02 -0.790069D+01
      6  -0.978985D+01 -0.311389D+01  0.364536D+00  0.470839D-01  0.575042D+00
               136           137           138           139           140 
      1   0.141065D+03 -0.134515D+03  0.384969D+02 -0.398024D+02  0.612808D+02
      2  -0.820966D+02  0.559158D+02 -0.166874D+02  0.306892D+02 -0.856494D+02
      3  -0.589684D+02  0.785993D+02 -0.218095D+02  0.911322D+01  0.243686D+02
      4  -0.103835D+02  0.131484D+03 -0.496177D+01  0.615237D+02  0.743570D+02
      5   0.108517D+02  0.948780D+02 -0.493437D+01  0.185567D+02  0.513805D+02
      6   0.658463D+01  0.429166D+01  0.793656D+01  0.239634D+02 -0.964315D+00
               141           142           143           144           145 
      1   0.586068D+00  0.586598D+01 -0.250031D+02  0.212594D+02  0.312841D+02
      2   0.147258D+01 -0.674703D+01 -0.465385D+01 -0.243787D+02  0.481404D+01
      3  -0.205864D+01  0.881048D+00  0.296569D+02  0.311934D+01 -0.360981D+02
      4   0.260771D+02  0.931751D+01  0.599482D+02  0.149869D+02  0.516998D+02
      5   0.100771D+02  0.313963D+02  0.502158D+02  0.139038D+02 -0.164443D+02
      6   0.703246D+01  0.177700D+02  0.183946D+01 -0.221593D+00  0.141551D+02
               146           147           148           149           150 
      1  -0.275035D+02  0.681242D+00 -0.780612D+01  0.239541D+02 -0.322842D+02
      2   0.149936D+02 -0.251145D+01 -0.109282D+02  0.371125D+02  0.299810D+02
      3   0.125099D+02  0.183021D+01  0.187343D+02 -0.610665D+02  0.230320D+01
      4   0.513419D+02  0.198554D+02 -0.654309D+02 -0.121900D+03 -0.427228D+02
      5   0.127602D+02  0.145409D+02 -0.348662D+02 -0.813738D+02 -0.303051D+02
      6   0.918027D+01  0.203902D+02 -0.463963D+02 -0.637602D+01 -0.274101D+02
               151           152           153           154           155 
      1  -0.234069D+02 -0.144300D+02  0.393615D+01 -0.472451D+02  0.162081D+02
      2  -0.118012D+02  0.226896D+02 -0.201296D+02 -0.825190D+01  0.424790D+02
      3   0.352082D+02 -0.825963D+01  0.161934D+02  0.554970D+02 -0.586872D+02
      4  -0.415186D+02 -0.272327D+02  0.357449D+01 -0.807238D+02 -0.466394D+02
      5   0.224072D+02 -0.212358D+02  0.224305D+02 -0.194370D+02 -0.529684D+02
      6   0.685695D+01  0.349500D+01  0.765745D+01 -0.526666D+02 -0.274482D+01
               156           157           158           159           160 
      1  -0.407719D+02  0.542221D+02 -0.103447D+02  0.347081D+02 -0.248150D+01
      2   0.216093D+02 -0.218799D+02  0.503756D+00 -0.328054D+02 -0.213273D+02
      3   0.191626D+02 -0.323422D+02  0.984089D+01 -0.190266D+01  0.238088D+02
      4  -0.601889D+02  0.672010D+02  0.714233D+02  0.107312D+02 -0.318576D+02
      5  -0.288269D+02  0.155153D+02  0.216316D+02  0.175357D+02  0.496351D+01
      6  -0.388798D+02  0.146928D+02 -0.155253D+02  0.105291D+02 -0.168681D+02
               161           162           163           164           165 
      1  -0.126634D+02 -0.302342D+02 -0.941513D+02 -0.843431D+02 -0.369309D+01
      2  -0.130604D+02 -0.640752D+01  0.631273D+02  0.951347D+02  0.556330D+01
      3   0.257238D+02  0.366417D+02  0.310239D+02 -0.107915D+02 -0.187021D+01
      4  -0.305018D+02 -0.411380D+01  0.626657D+02 -0.144934D+02 -0.149907D+02
      5   0.124383D+02  0.135215D+02 -0.541356D+02 -0.594715D+02 -0.581084D+00
      6   0.210886D+02  0.407792D+01 -0.945284D+01  0.268886D+02  0.189743D+01
               166           167           168           169           170 
      1   0.801888D+02  0.462359D+02  0.126415D+01  0.252708D+02  0.125163D+02
      2  -0.603686D+02 -0.917115D+02  0.325585D+01 -0.204696D+02 -0.199677D+02
      3  -0.198202D+02  0.454756D+02 -0.452000D+01 -0.480118D+01  0.745142D+01
      4  -0.179613D+02  0.893786D+02 -0.875912D+01 -0.124173D+01  0.281465D+02
      5   0.319530D+02  0.750647D+02 -0.578504D+01  0.651834D+01  0.269681D+02
      6  -0.186028D+02 -0.935336D+01 -0.240447D+01 -0.106133D+01 -0.172858D+01
               171           172           173           174           175 
      1  -0.683276D+01  0.141667D+03  0.232573D+02 -0.432659D+01 -0.482976D+02
      2  -0.362176D+01 -0.897542D+02 -0.305327D+02  0.901192D+01  0.408727D+02
      3   0.104545D+02 -0.519126D+02  0.727534D+01 -0.468532D+01  0.742495D+01
      4   0.265762D+01 -0.848396D+02 -0.669498D+01 -0.649727D+01  0.325380D+01
      5   0.264439D+01  0.463684D+02  0.444380D+02 -0.934693D+01 -0.531710D+02
      6  -0.185913D+01 -0.171327D+02 -0.590341D+01 -0.231817D+01  0.123114D+01
               176           177           178           179           180 
      1  -0.106708D+03 -0.699361D+01  0.244017D+01 -0.248706D+02 -0.176456D+01
      2   0.164907D+03  0.143028D+02  0.725004D+01  0.416351D+02  0.274588D+01
      3  -0.581987D+02 -0.730923D+01 -0.969021D+01 -0.167645D+02 -0.981320D+00
      4  -0.104078D+03 -0.958536D+01 -0.742211D+01 -0.231004D+02 -0.199727D+02
      5  -0.106180D+03 -0.901801D-01  0.178902D+01 -0.398714D+02 -0.107378D+02
      6   0.440992D+02  0.270746D+01 -0.141155D+02  0.259973D+02 -0.106611D+00
               181           182           183           184           185 
      1  -0.848797D+02  0.962555D+01  0.400289D+01 -0.144271D+03  0.283778D+02
      2   0.475221D+02 -0.158915D+02 -0.648407D+01  0.105037D+03 -0.210819D+02
      3   0.373577D+02  0.626593D+01  0.248118D+01  0.392342D+02 -0.729581D+01
      4   0.579381D+02  0.163804D+02  0.143863D+02  0.445569D+02 -0.281365D+02
      5  -0.283276D+02 -0.102513D+02  0.114181D+02 -0.343353D+02 -0.177450D+02
      6   0.179608D+02 -0.669406D+01 -0.201094D+01  0.269691D+02 -0.131005D+02
               186           187           188           189           190 
      1  -0.115596D+02 -0.728446D+02  0.237640D+02  0.182627D+02 -0.810190D+01
      2   0.426151D+01  0.517727D+02 -0.235638D+02 -0.159286D+02  0.175965D+01
      3   0.729805D+01  0.210719D+02 -0.200152D+00 -0.233414D+01  0.634225D+01
      4   0.328948D+02  0.143354D+02  0.121348D+02 -0.166179D+02 -0.437052D+00
      5  -0.179869D+02  0.297450D+02 -0.492038D+02 -0.166740D+02 -0.142337D+02
      6   0.137712D+02 -0.322989D+01  0.167110D+02 -0.163451D+01  0.252545D+01
               191           192           193           194           195 
      1   0.460206D+02 -0.240866D+02  0.162209D+03 -0.991029D+02 -0.596774D+01
      2  -0.376917D+02  0.123289D+02 -0.103440D+03  0.701100D+02  0.132223D+02
      3  -0.832894D+01  0.117577D+02 -0.587694D+02  0.289929D+02 -0.725461D+01
      4   0.156481D+02  0.518007D+01 -0.782751D+02  0.587710D+02 -0.287320D+02
      5  -0.482636D+01  0.151593D+02 -0.176471D+02  0.391559D+02  0.390973D+01
      6  -0.127701D+01  0.110719D+01 -0.199012D+02  0.892973D+01 -0.428726D+01
               196           197           198           199           200 
      1   0.858114D+01 -0.315735D+02  0.215613D+02  0.402123D+02  0.527834D+02
      2  -0.126365D+02  0.194836D+02 -0.234676D+02 -0.418930D+02 -0.517814D+02
      3   0.405534D+01  0.120899D+02  0.190621D+01  0.168070D+01 -0.100201D+01
      4  -0.442508D+02  0.889724D+01 -0.112730D+02 -0.316776D+02 -0.139961D+02
      5   0.493405D+02  0.220288D+02  0.241236D+02  0.275637D+02  0.350064D+02
      6  -0.167164D+02  0.280013D+01 -0.129480D+02  0.727016D+01 -0.177854D+02
               201           202           203           204           205 
      1  -0.298839D+01  0.250166D+01  0.288842D+02  0.877962D+01  0.258803D+01
      2  -0.190598D+01  0.218565D+02 -0.404706D+02 -0.181999D+02  0.100139D+02
      3   0.489436D+01 -0.243581D+02  0.115863D+02  0.942033D+01 -0.126019D+02
      4   0.121691D+02 -0.132745D+03 -0.265621D+02  0.284759D+02 -0.540063D+02
      5   0.335403D+01  0.447236D+02  0.762121D+01 -0.878742D+01  0.199546D+02
      6  -0.617316D+01  0.256757D+02 -0.844522D+01 -0.394966D+01  0.997649D+01
               206           207           208           209           210 
      1   0.752132D+01  0.360895D+01  0.959705D+01  0.119312D+03  0.173071D+02
      2  -0.699117D+01 -0.118780D+02 -0.128350D+02 -0.145319D+03 -0.989365D+01
      3  -0.530150D+00  0.826910D+01  0.323796D+01  0.260062D+02 -0.741341D+01
      4  -0.599826D+01  0.891225D+01 -0.484730D+02  0.327845D+02  0.199468D+02
      5  -0.370100D+00  0.135466D+01  0.454155D+02  0.504804D+02  0.136582D+02
      6  -0.759796D+00 -0.634222D+01  0.448258D+01 -0.341701D+02 -0.300471D+02
               211           212           213           214           215 
      1   0.117059D+02  0.825757D+02  0.622886D+01 -0.659832D+01  0.245272D+02
      2  -0.240833D+02 -0.120773D+03 -0.104390D+02  0.209757D+02 -0.449918D+02
      3   0.123774D+02  0.381975D+02  0.421013D+01 -0.143773D+02  0.204646D+02
      4   0.860623D+00  0.574471D+02  0.250011D+02 -0.549796D+01  0.273014D+02
      5   0.248502D+02  0.775411D+02  0.371242D+01  0.349096D+02  0.121589D+02
      6   0.155329D+02 -0.448589D+02 -0.631529D+01 -0.363340D+02  0.544213D+01
               216           217           218           219           220 
      1  -0.450428D+01  0.166231D+02 -0.892531D+02 -0.137244D+02 -0.208316D+02
      2  -0.265002D+01 -0.307287D+02  0.114114D+03  0.130348D+02  0.246763D+02
      3   0.715430D+01  0.141056D+02 -0.248613D+02  0.689551D+00 -0.384466D+01
      4  -0.246824D+02  0.117283D+03 -0.469599D+02 -0.418693D+02 -0.100756D+02
      5  -0.870094D+01 -0.539104D+02 -0.572157D+02 -0.771049D+01  0.135366D+02
      6   0.859275D+01 -0.236390D+02  0.300382D+02  0.275307D+02  0.358260D+01
               221           222           223           224           225 
      1  -0.142032D+02  0.167614D+02 -0.113329D+02  0.103056D+02 -0.250676D+02
      2   0.243542D+02 -0.263840D+02  0.531814D+01 -0.366492D+02  0.128301D+02
      3  -0.101510D+02  0.962267D+01  0.601474D+01  0.263436D+02  0.122375D+02
      4  -0.264523D+02  0.614361D+01 -0.998114D+01 -0.673048D-01  0.221136D+01
      5  -0.538747D+01 -0.563677D+01  0.597976D+01 -0.149015D+02 -0.117867D+02
      6  -0.243471D+02  0.496551D+01  0.200480D+02  0.429556D+02  0.163931D+02
               226           227           228           229           230 
      1  -0.682347D+02  0.130257D+02  0.124268D+02  0.911938D+01 -0.470794D+02
      2   0.668388D+02 -0.136652D+02 -0.140405D+02 -0.333043D+02  0.649766D+02
      3   0.139584D+01  0.639432D+00  0.161368D+01  0.241849D+02 -0.178971D+02
      4  -0.212893D+02  0.408600D+02  0.256577D+02  0.137293D+03  0.250776D+02
      5   0.170494D+02  0.125306D+02 -0.733760D+01 -0.561827D+02 -0.170249D+02
      6   0.168542D+02 -0.632850D+01 -0.530925D+01 -0.297025D+02  0.135517D+02
               231           232           233           234           235 
      1  -0.657681D+01  0.978372D+01 -0.658749D+01 -0.188719D+02  0.507886D+02
      2   0.256801D+02 -0.174331D+02  0.979603D+01  0.180038D+02 -0.435208D+02
      3  -0.191033D+02  0.764934D+01 -0.320854D+01  0.868163D+00 -0.726782D+01
      4  -0.317897D+02  0.484416D+02  0.730332D+01 -0.131603D+02 -0.366866D+02
      5   0.964969D+01 -0.231698D+02 -0.425567D+01  0.810642D+01 -0.337270D+01
      6   0.686880D+01 -0.122576D+02  0.172841D+02  0.777510D+01 -0.167033D+01
               236           237           238           239           240 
      1  -0.225611D+01 -0.142711D+02 -0.293404D+01  0.339235D+01  0.160646D+02
      2  -0.130247D+02  0.703845D+01  0.546860D+01  0.213222D+01 -0.218595D+02
      3   0.152809D+02  0.723269D+01 -0.253456D+01 -0.552457D+01  0.579489D+01
      4  -0.673228D+02 -0.141718D+02  0.318077D+02  0.151958D+02 -0.100909D+02
      5  -0.118303D+02 -0.343527D+01  0.307797D+01 -0.927947D+01  0.752040D+00
      6   0.112992D+02 -0.778095D+00 -0.846869D+01 -0.262653D+02  0.703290D+01
               241           242           243           244           245 
      1  -0.858631D+01  0.194070D+02 -0.911932D+01 -0.649580D+01 -0.283415D+02
      2   0.535405D+01 -0.262099D+02  0.770364D+01 -0.325373D+01  0.365098D+02
      3   0.323226D+01  0.680288D+01  0.141568D+01  0.974954D+01 -0.816827D+01
      4   0.259991D+02  0.936949D+01  0.143636D+02  0.301572D+02  0.393430D+02
      5   0.977381D+01  0.118386D+02  0.110482D+02 -0.143371D+02  0.653541D+01
      6   0.763897D+01  0.201025D+02  0.129695D+02 -0.898960D+00 -0.109773D+01
               246           247           248           249           250 
      1  -0.450537D+01  0.499955D+02 -0.199886D+02 -0.207349D+02  0.378949D+02
      2   0.838132D+01 -0.525516D+02  0.515930D+01  0.169339D+02 -0.371318D+02
      3  -0.387594D+01  0.255611D+01  0.148293D+02  0.380093D+01 -0.763138D+00
      4   0.460987D+01 -0.232627D+02 -0.495214D+02 -0.250702D+02 -0.217747D+02
      5   0.222224D+02 -0.409823D+02 -0.148455D+02  0.648679D+01  0.145598D+02
      6   0.141901D+02 -0.221172D+02 -0.124604D+01  0.434842D+01  0.176806D+02
               251           252           253           254           255 
      1   0.114392D+01 -0.857011D+01  0.676870D+01  0.204972D+02 -0.503867D+01
      2  -0.119822D+02  0.215993D+01 -0.158978D+02  0.351952D+01  0.592785D+01
      3   0.108382D+02  0.641018D+01  0.912908D+01 -0.240168D+02 -0.889176D+00
      4  -0.421588D+02  0.116494D+02  0.802154D+02  0.226088D+02 -0.889001D+01
      5   0.294515D+01 -0.789664D+01 -0.169301D+02  0.536306D+01 -0.366572D+01
      6   0.182827D+02 -0.108744D+02 -0.569399D+01  0.652208D+01  0.598915D+01
               256           257           258           259           260 
      1  -0.294073D+02  0.920114D+01  0.103921D+02 -0.717162D+01 -0.148677D+01
      2   0.350237D+02 -0.367234D+00  0.161880D+01  0.145397D+02  0.402902D+01
      3  -0.561636D+01 -0.883390D+01 -0.120109D+02 -0.736803D+01 -0.254225D+01
      4  -0.448462D+00  0.491835D+02  0.163271D+02 -0.193818D+02  0.141040D+02
      5   0.707976D+01  0.160624D+02  0.992261D+01  0.143744D+02  0.831455D+01
      6   0.133058D+02 -0.353935D+01 -0.316978D+01  0.173754D+02  0.237745D+01
               261           262           263           264           265 
      1   0.322778D+01 -0.340723D+02 -0.136461D+02  0.107349D+02 -0.113496D+02
      2  -0.689069D+01  0.453250D+02 -0.253391D+01 -0.218946D+02  0.708228D+01
      3   0.366290D+01 -0.112527D+02  0.161800D+02  0.111598D+02  0.426735D+01
      4   0.145782D+02 -0.809164D+02 -0.274632D+02  0.543451D+01  0.123725D+02
      5  -0.918493D+00  0.362381D+02 -0.220443D+02 -0.136654D+02  0.144055D+02
      6  -0.123560D+02  0.537793D+01  0.315866D+01 -0.379977D+01 -0.235029D+01
               266           267           268           269           270 
      1   0.941048D+01  0.661066D+01 -0.102372D+00  0.878510D+01 -0.885537D+01
      2  -0.174048D+02 -0.621864D+01 -0.116056D+01 -0.458422D+01 -0.103633D+02
      3   0.799431D+01 -0.392022D+00  0.126293D+01 -0.420088D+01  0.192186D+02
      4  -0.105774D+02 -0.334550D+00  0.160339D+02  0.843375D+01 -0.847695D+01
      5   0.416800D+01 -0.816713D+01  0.387673D+01 -0.548198D+01 -0.111692D+00
      6  -0.769430D+01  0.261486D+00 -0.197601D+01  0.831119D+00 -0.885412D+01
               271           272           273           274           275 
      1  -0.957465D+01  0.213800D+02 -0.160850D+01  0.154152D+02 -0.355544D+02
      2   0.307671D+02 -0.507619D+02 -0.588090D+00 -0.362834D+02  0.764511D+02
      3  -0.211924D+02  0.293818D+02  0.219659D+01  0.208681D+02 -0.408967D+02
      4  -0.330918D+02  0.432890D+02  0.190193D+01  0.305225D+02 -0.471911D+02
      5  -0.262624D+01  0.413240D+01  0.330711D+01  0.578671D+01 -0.781950D+01
      6  -0.351611D+01  0.544741D+01 -0.699590D+01 -0.395962D+01  0.335727D+01
               276           277           278           279           280 
      1  -0.459986D+01  0.203442D+01 -0.865886D+01 -0.185990D+01 -0.166906D+01
      2   0.694447D+01 -0.631305D+01  0.140587D+02  0.238770D+01  0.535797D+01
      3  -0.234461D+01  0.427863D+01 -0.539983D+01 -0.527794D+00 -0.368891D+01
      4  -0.556230D+01 -0.393263D+01 -0.482076D+00 -0.657632D+01  0.778725D+01
      5  -0.253286D+01  0.277918D+01 -0.377774D+01 -0.739271D-01  0.146015D+01
      6   0.491565D+01 -0.501301D+01  0.657364D+01  0.156980D+01  0.888264D+01
               281           282           283           284           285 
      1  -0.815663D+01 -0.350170D+01 -0.675156D+01 -0.587426D+02 -0.294561D+02
      2   0.114583D+02  0.522814D+01  0.970423D+01  0.926790D+02  0.397168D+02
      3  -0.330163D+01 -0.172644D+01 -0.295267D+01 -0.339364D+02 -0.102607D+02
      4   0.140200D+02  0.992125D+01  0.756121D+01  0.247004D+02  0.999528D+01
      5   0.374554D+01  0.272917D+01  0.167663D+01 -0.114264D+01 -0.242343D+00
      6   0.921224D+01  0.104966D+02  0.541953D+01  0.488221D+02  0.323191D+02
               286           287           288           289           290 
      1  -0.544953D+01 -0.318642D+02 -0.213908D+02  0.103396D+03  0.245304D+02
      2   0.115903D+02  0.455995D+02  0.263408D+02 -0.646363D+02 -0.132464D+02
      3  -0.614077D+01 -0.137352D+02 -0.494999D+01 -0.387599D+02 -0.112840D+02
      4   0.104138D+02  0.182754D+02  0.119486D+02  0.622183D+02  0.239705D+02
      5   0.189569D+01  0.179425D+01  0.332356D+01  0.556876D+02  0.139741D+02
      6   0.451641D+01  0.347862D+02  0.229737D+02  0.166392D+02  0.668297D+01
               291           292           293           294           295 
      1   0.373153D+02  0.608821D+01  0.144943D+02  0.457056D+01  0.360581D+02
      2  -0.278956D+02 -0.154441D+01 -0.549457D+01 -0.294655D+01 -0.217025D+02
      3  -0.941970D+01 -0.454380D+01 -0.899972D+01 -0.162401D+01 -0.143556D+02
      4   0.241954D+02  0.240194D+02  0.125367D+02  0.115411D+02  0.275661D+02
      5   0.318342D+02  0.119328D+02  0.653434D+01  0.790797D+01  0.244069D+02
      6   0.962503D+01  0.942453D+01  0.417610D+01  0.647290D+01  0.765930D+01
               296           297           298           299           300 
      1   0.839337D+01  0.156156D+02 -0.280732D-01  0.510528D+01 -0.101653D+01
      2  -0.493368D+01 -0.115732D+02  0.540264D+01  0.157686D+01  0.178664D+01
      3  -0.345969D+01 -0.404247D+01 -0.537456D+01 -0.668214D+01 -0.770113D+00
      4   0.954699D+01  0.124115D+02  0.192397D+02  0.253213D+02  0.149335D+02
      5   0.920906D+01  0.157753D+02  0.911201D+01  0.128291D+02  0.102573D+02
      6   0.529356D+01  0.534393D+01  0.103870D+02  0.134954D+02  0.867582D+01
               301           302           303           304           305 
      1  -0.595125D+01 -0.343215D+02 -0.166986D+02 -0.551991D+01 -0.978945D+01
      2   0.173422D+02  0.535404D+02  0.203831D+02  0.798352D+01  0.211307D+02
      3  -0.113910D+02 -0.192189D+02 -0.368449D+01 -0.246361D+01 -0.113412D+02
      4   0.331184D+02  0.669495D+02  0.332919D+02  0.212953D+02  0.395900D+02
      5   0.119291D+02  0.255194D+02  0.169398D+02  0.113816D+02  0.141204D+02
      6   0.191239D+02  0.502499D+02  0.307218D+02  0.136512D+02  0.268080D+02
               306           307           308           309           310 
      1  -0.885100D+01  0.752868D+02 -0.432196D+02 -0.375969D+01 -0.425303D+02
      2   0.947796D+01 -0.278280D+02  0.137661D+02  0.206551D+01  0.762651D+01
      3  -0.626959D+00 -0.474588D+02  0.294536D+02  0.169418D+01  0.349038D+02
      4   0.206406D+02 -0.746848D+02  0.508986D+02  0.206400D+01  0.654303D+02
      5   0.128841D+02 -0.995875D+01  0.236864D+01  0.796404D+01  0.991244D+01
      6   0.214770D+02 -0.114212D+01  0.180179D+01 -0.363677D+01 -0.107415D+01
               311           312           313           314           315 
      1   0.297484D+02  0.445900D+01 -0.522614D+01  0.221037D+01  0.206696D+01
      2   0.163465D+01 -0.197027D+01  0.777962D+00  0.168205D+01 -0.496959D+00
      3  -0.313830D+02 -0.248873D+01  0.444818D+01 -0.389242D+01 -0.157000D+01
      4  -0.603673D+02 -0.567965D+01  0.109326D+02 -0.120595D+02 -0.384644D+01
      5  -0.121186D+02 -0.749615D+01  0.638640D+01 -0.504350D+00 -0.964171D+00
      6   0.224484D+01  0.453504D+01 -0.274278D+01  0.126910D+01  0.202899D+01
               316           317           318           319           320 
      1   0.159129D+03  0.861961D+01  0.305300D+02  0.210015D+02  0.115248D+02
      2  -0.982046D+02 -0.561046D+01 -0.215854D+02 -0.145244D+02 -0.719658D+01
      3  -0.609245D+02 -0.300915D+01 -0.894464D+01 -0.647710D+01 -0.432822D+01
      4   0.866493D+00  0.725151D+01 -0.119483D+01  0.185364D+02  0.574929D+01
      5   0.417757D+02  0.179809D+01  0.197414D+02  0.115874D+02  0.836446D+01
      6  -0.645465D+01  0.846930D+00 -0.234904D+01  0.162625D+01 -0.338749D+00
               321           322           323           324           325 
      1   0.743288D+01  0.435703D+02  0.473717D+01  0.118821D+02  0.178461D+02
      2  -0.599992D+01 -0.295016D+02 -0.229574D+01 -0.869845D+01  0.125531D+02
      3  -0.143296D+01 -0.140687D+02 -0.244143D+01 -0.318368D+01 -0.303992D+02
      4   0.407018D+01  0.396129D+01  0.289012D+01  0.385326D+00 -0.679292D+02
      5   0.518122D+01  0.154218D+02 -0.246050D+01  0.763662D+01 -0.151486D+02
      6   0.109944D+01 -0.102550D+01  0.205617D+01  0.786198D+00  0.111838D+02
               326           327           328           329           330 
      1  -0.502197D+01 -0.272333D+01  0.450713D+01 -0.827792D+01 -0.230240D+01
      2  -0.226953D+02 -0.282105D+01 -0.275477D+02  0.404533D+02  0.781804D+01
      3   0.277172D+02  0.554438D+01  0.230406D+02 -0.321754D+02 -0.551564D+01
      4   0.606528D+02  0.161176D+02  0.512529D+02 -0.655508D+02 -0.170584D+02
      5   0.146448D+02  0.993087D+01  0.144334D+02 -0.131977D+02 -0.819420D+01
      6  -0.123267D+02 -0.857750D+01 -0.149943D+02  0.162275D+02  0.109101D+02
               331           332           333           334           335 
      1   0.743116D+00 -0.416992D+00  0.213424D+00 -0.785967D+01 -0.178879D+02
      2  -0.100477D+02  0.649097D+01  0.311552D+01  0.116858D+02  0.236921D+02
      3   0.930454D+01 -0.607398D+01 -0.332894D+01 -0.382617D+01 -0.580424D+01
      4   0.163484D+02 -0.170349D+02 -0.695851D+01  0.455880D+01  0.157074D+02
      5   0.513353D+01 -0.716399D+01 -0.437842D+01 -0.938739D+00  0.229693D+01
      6  -0.251474D+01  0.902177D+01  0.423117D+01  0.444860D+01  0.784562D+01
               336           337           338           339           340 
      1  -0.458461D+01 -0.367584D+01 -0.851593D+02 -0.245613D+02 -0.499444D+00
      2   0.545152D+01  0.379180D+01  0.126585D+03  0.314480D+02  0.286773D+01
      3  -0.866912D+00 -0.115953D+00 -0.414261D+02 -0.688672D+01 -0.236828D+01
      4   0.322933D+01  0.642178D+01 -0.129393D+02 -0.381221D+01  0.240847D+00
      5   0.229645D+01  0.103466D+01 -0.588869D+01 -0.320847D+01  0.309955D+01
      6   0.391084D+01  0.269231D+01  0.477668D+02  0.222532D+02 -0.281519D+01
               341           342           343           344           345 
      1  -0.293043D+02 -0.983669D+01 -0.382783D+01 -0.688439D+01 -0.140875D+01
      2   0.427485D+02  0.123885D+02  0.128099D+02  0.189373D+02  0.387379D+01
      3  -0.134442D+02 -0.255179D+01 -0.898203D+01 -0.120529D+02 -0.246504D+01
      4  -0.685576D+01 -0.132995D+01  0.143583D+02  0.264780D+02  0.640639D+01
      5  -0.108581D+01 -0.294902D+00  0.235684D+01  0.512533D+01  0.381472D+01
      6   0.170340D+02  0.110356D+02  0.490676D+01  0.458743D+01  0.290403D+01
               346           347           348           349           350 
      1  -0.139330D+02 -0.571706D+02 -0.155698D+02 -0.368990D+01 -0.205694D+02
      2   0.272001D+02  0.983366D+02  0.232062D+02  0.612750D+01  0.314559D+02
      3  -0.132671D+02 -0.411660D+02 -0.763638D+01 -0.243760D+01 -0.108866D+02
      4   0.224924D+02  0.522183D+02  0.144986D+02  0.705687D+01  0.161594D+02
      5   0.603476D+01  0.139270D+02  0.637923D+01  0.198477D+01  0.500736D+01
      6   0.932785D+01  0.286541D+02  0.163182D+02  0.432194D+01  0.146464D+02
               351           352           353           354           355 
      1  -0.870119D+01  0.508423D+02  0.190898D+02 -0.851270D+00  0.106302D+02
      2   0.112773D+02 -0.138177D+02  0.564860D+00  0.595097D+00  0.510789D+01
      3  -0.257609D+01 -0.370246D+02 -0.196546D+02  0.256173D+00 -0.157381D+02
      4   0.562594D+01  0.724183D+02  0.406324D+02 -0.177210D+01  0.324998D+02
      5   0.293738D+01 -0.282035D+01 -0.936899D+00  0.716192D+01  0.240620D+01
      6   0.883207D+01 -0.592486D+01 -0.349225D+01  0.507834D+01  0.653730D+00
               356           357           358           359           360 
      1   0.609580D+01  0.396941D+00 -0.281752D+01 -0.718903D+00  0.224025D+01
      2   0.701443D+01 -0.277212D+00  0.421168D+01  0.210843D+01 -0.357689D+00
      3  -0.131102D+02 -0.119729D+00 -0.139416D+01 -0.138953D+01 -0.188256D+01
      4   0.262727D+02  0.190120D+01  0.184973D+01  0.408038D+01  0.352725D+01
      5   0.104362D+01  0.195904D+01  0.291776D+01  0.249170D+01  0.169389D+01
      6  -0.125790D+01  0.185448D+01  0.114791D+01  0.191649D+01  0.113533D+01
               361           362           363           364           365 
      1   0.127267D+03 -0.170158D+02 -0.241573D+02 -0.106589D+02  0.206138D+02
      2  -0.771250D+02  0.969190D+01  0.200031D+02  0.679599D+01 -0.140281D+02
      3  -0.501417D+02  0.732392D+01  0.415421D+01  0.386289D+01 -0.658563D+01
      4  -0.142358D+02  0.327991D+02  0.599909D+01  0.655455D+02 -0.203865D+02
      5  -0.496033D+02  0.826296D+01  0.431310D+02  0.460636D+01 -0.271836D+02
      6   0.180796D+01 -0.867877D+01 -0.128060D+01 -0.222981D+02  0.678763D+01
               366           367           368           369           370 
      1  -0.620180D+00  0.258008D+01  0.492775D-01  0.558743D+01 -0.434728D+01
      2  -0.496494D+01  0.215965D+02 -0.394139D+01 -0.465945D+02  0.184787D+01
      3   0.558512D+01 -0.241766D+02  0.389211D+01  0.410071D+02  0.249941D+01
      4  -0.264204D+02  0.103796D+02 -0.139839D+02 -0.254962D+01 -0.283715D+01
      5  -0.992611D+01  0.633349D+02 -0.116390D+02 -0.534104D+02  0.484381D+01
      6   0.238524D+02 -0.892024D+00  0.165797D+02 -0.402645D+01  0.232746D+00
               371           372           373           374           375 
      1  -0.224995D+01  0.734765D+00 -0.584366D+01 -0.702696D+01 -0.854484D+00
      2  -0.978138D+00 -0.196569D+01  0.317873D+01 -0.142318D+01 -0.467326D+01
      3   0.322809D+01  0.123093D+01  0.266494D+01  0.845014D+01  0.552774D+01
      4  -0.181710D+01  0.902704D+00 -0.165750D+01 -0.408497D+01 -0.671588D+00
      5   0.507853D+01 -0.211666D+01  0.468806D+01  0.543345D+01 -0.386462D+01
      6  -0.511863D+00 -0.403150D+00 -0.271647D+00  0.157672D+01  0.951636D+00
               376           377           378 
      1   0.494700D+00 -0.406745D+00 -0.494409D+01
      2   0.331333D-01 -0.362352D+01 -0.922900D+00
      3  -0.527833D+00  0.403027D+01  0.586699D+01
      4   0.200965D+01 -0.974572D+00 -0.111707D+01
      5   0.147276D+00 -0.108538D+01  0.590638D+00
      6  -0.467861D+00  0.133265D+01  0.232348D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x         -0.557213D+00     -0.141629D+01     -0.472425D+01
   y          0.219256D+00      0.557294D+00      0.185893D+01
   z          0.303060D+00      0.770301D+00      0.256945D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.408147D+03      0.604811D+02      0.672943D+02
   yx        -0.187080D+02     -0.277224D+01     -0.308454D+01
   yy         0.373843D+03      0.553977D+02      0.616383D+02
   zx         0.412699D+02      0.611557D+01      0.680449D+01
   zy         0.443260D+02      0.656844D+01      0.730837D+01
   zz         0.221767D+03      0.328624D+02      0.365644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.366913D+03      0.543709D+02      0.604958D+02
   aniso      0.217724D+03      0.322633D+02      0.358978D+02
   xx         0.445656D+03      0.660394D+02      0.734787D+02
   yx        -0.186549D+02     -0.276437D+01     -0.307578D+01
   yy         0.409984D+03      0.607534D+02      0.675973D+02
   zx         0.452361D+02      0.670330D+01      0.745843D+01
   zy         0.442691D+02      0.656000D+01      0.729898D+01
   zz         0.245099D+03      0.363199D+02      0.404113D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     1          2.79196355         -1.07561988          3.00987757
     6          3.05784515         -2.12078621          1.28108022
     6          5.45194560         -2.35788217          0.30595923
     1          7.02734984         -1.48296848          1.27275286
     6          5.86551080         -3.73053220         -1.92546961
     1          7.74848324         -3.87224434         -2.71019780
     6          3.87669022         -4.94926378         -3.05876068
     1          4.17624459         -6.09477732         -4.72815843
     6          1.41396040         -4.78932325         -2.05347930
     6         -0.58772633         -6.26479260         -3.08557277
     6          0.94911290         -3.23468306          0.08904140
     6         -1.61142676         -2.97757134          1.02531161
     6         -3.40825362         -4.77294159          0.19959592
     6         -2.86791259         -6.34477666         -1.92257656
     6         -2.40145093         -1.11972869          2.86239486
     6         -4.52302692         -1.72735784          4.39124992
     6         -6.16761156         -3.71814195          3.66677280
     6         -5.71980214         -5.06798089          1.52804964
     6         -1.22947064          1.31178496          3.27042409
     6         -1.59558337          2.51608215          5.62652975
     6         -3.46051330          1.60208278          7.32454918
     6         -4.99502516         -0.33897283          6.63735252
     6          0.14865252          2.70130888          1.35547254
     6         -0.15283189          4.69992337          6.26939006
     6          1.47301235          5.75907498          4.59693573
     6          1.59578768          4.85025624          2.06739599
     6          3.04307702          6.12620211          0.22849615
     6          3.00462731          5.41167392         -2.26362180
     6          1.42300841          3.40876644         -2.97113203
     6          0.01814327          2.09614859         -1.23730961
     1         -0.21096727         -7.41452969         -4.73578272
     1         -4.33981436         -7.59839982         -2.59343647
     1         -7.82408809         -4.08134985          4.81174185
     1         -7.04715820         -6.48538651          0.88337884
     1         -3.72768538          2.57382651          9.10510582
     1         -6.56224655         -0.90835616          7.82346483
     1         -0.38419493          5.49018032          8.14283608
     1          2.60437713          7.38289880          5.11657778
     1          4.17580845          7.72849596          0.81014142
     1          4.11667413          6.39461279         -3.66514844
    35          1.23001063          2.48674964         -6.45484439
     1         -1.19958258          0.59600273         -1.87213581

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.671122D+00      0.170582D+01      0.569001D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.324536D+03      0.480913D+02      0.535088D+02
   yx         0.655757D+02      0.971731D+01      0.108120D+02
   yy         0.320459D+03      0.474871D+02      0.528366D+02
   zx        -0.751796D+02     -0.111405D+02     -0.123954D+02
   zy         0.588522D+02      0.872100D+01      0.970342D+01
   zz         0.358761D+03      0.531629D+02      0.591517D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.366913D+03      0.543709D+02      0.604958D+02
   aniso      0.217724D+03      0.322633D+02      0.358978D+02
   xx         0.355676D+03      0.527057D+02      0.586430D+02
   yx         0.691068D+02      0.102406D+02      0.113942D+02
   yy         0.354850D+03      0.525833D+02      0.585068D+02
   zx        -0.823913D+02     -0.122091D+02     -0.135845D+02
   zy         0.618851D+02      0.917042D+01      0.102035D+02
   zz         0.390213D+03      0.578236D+02      0.643374D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-35\Freq\RM11\Gen\C26H15Br1\PIERPA\16-Jul-2021\0\\#P M
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 TOWERING GENIUS DISDAINS A BEATEN PATH.  IT SEEKS 
 REGIONS HITHERTO UNEXPLORED.

                                -- ABRAHAM LINCOLN
 Job cpu time:      17 days  4 hours 22 minutes 53.5 seconds.
 Elapsed time:       1 days  1 hours 51 minutes 17.7 seconds.
 File lengths (MBytes):  RWF=   5570 Int=      0 D2E=      0 Chk=     60 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 19:33:17 2021.
